Applications

Contents

Key Experimental Research Areas

Application of the Focal Point Approach

FPA

Henry F. Mull, Justin M. Turney, Gary E. Douberly, and Henry F. Schaefer III. Kinetic Stability of Pentazole. The Journal of Physical Chemistry A, 2021, 125(41), 9092-9098. DOI: 10.1021/acs.jpca.1c06252

Reaction Pathways in Combustion and Atmospheric Chemistry

PES

Matthew M. Davis, Jared D. Weidman, Adam S. Abbott, Gary E. Douberly, Justin M. Turney, and Henry F. Schaefer. Characterization of the 2-methylvinoxy radical + O2 reaction: A focal point analysis and composite multireference study. The Journal of Chemical Physics, 2019, 151(12), 124302. DOI: 10.1063/1.511380

Heavy Main Group Elements

HeavyEl

Henry F. Mull, Peter R. Franke, Caroline Sargent, Gary E. Douberly, Justin M. Turney, and Henry F. Schaefer III. Four isomers of In2 H2 : a careful comparison between theory and experiment. Molecular Physics, 2021, 119(21-22), e1979675. DOI: 10.1080/00268976.2021.1979675

Theory Validated By Experiment (183 Predictions)

Herein are literature references for theoretical predictions by the H. F. Schaefer research group later confirmed by experiment. For those many cases in which the theoretical predictions were initially resisted by experiment, appropriate documentation is provided. Entries are given chronologically, according to the date of publication of the definitive experiment.

  1. The equilibrium geometry of methylene. Theory - C. F. Bender and H. F. Schaefer, J. Amer. Chem. Soc. 92, 4984 (1970). Experiment - G. Herzberg, Proc. Roy. Soc. (London) A262, 291 (1961). Revision of experiment by E. Wasserman, W. A. Yager and V. J. Kuck, Chem. Phys. Lett. 7, 409 (1970).
  2. The structure of the CH2+ molecular ion. Theory - C. F. Bender and H. F. Schaefer, J. Mol. Spectroscopy 37, 423 (1971). Experiment - G. Herzberg, Can. J. Phys. 39, 511 (1961). Revision of experiment by G. Herzberg and J. W. C. Johns, J. Chem. Phys. 54, 2276 (1971).
  3. Predissociation of the Schumann-Runge bands of O2; the inner crossing of the B 3u- and 3u electronic states. Theory - H. F. Schaefer and F. E. Harris, J. Chem. Phys. 48, 4946 (1968); H. F. Schaefer and W. H. Miller, J. Chem. Phys. 55, 4107 (1971). Experiment - M. Ackerman and F. Biaume, J. Mol. Spectroscopy 35, 73 (1970). Revised analysis by P. S. Julienne and M. Krauss, J. Mol. Spectroscopy 56, 270 (1975).
  4. Bond Distance of HF+ Experiment (1.026Å) – J. Berkowitz, Chem. Phys. Lett. 11, 21 (1971). Theory challenges experiment (1.000Å) – V. Bondybey, P. K. Pearson, and H. F. Schaefer, J. Chem. Phys. 57, 1123 (1972). Experiment confirms theory (1.001Å) – S. Gewurtz, H. Lew, and P. Flainek, Can. J. Phys. 53, 1097 (1975).
  5. Penning ionization of hydrogen by metastable helium. Theory - W.H. Miller and H.F. Schaefer, J. Chem. Phys. 53, 1421 (1970); W.H. Miller, C.A. Slocomb, and H.F. Schaefer, J. Chem. Phys. 56, 1347 (1972). Experiment - R.H. Neyhaber and G.D. Magnuson, J. Chem. Phys. 62, 4953 (1975); R.H. Neynaber and S.Y. Tang , J. Chem. Phys. 69, 4851 (1978).
  6. The quadrupole moment of ozone. Theory - S. Rothenberg and H. F. Schaefer, Mol. Phys. 21, 317 (1971). Experiment - J. M. Pochan, R. G. Stone, and W. H. Flygare, J. Chem Phys. 51, 4278 (1969). Revision of experiment by K. M. Mack and J. S. Muenter, J. Chem. Phys. 66, 5278 (1977).
  7. The existence of the Li2H radical. Theory - P. Siegbahn and H. F. Schaefer, J. Chem. Phys. 62, 3488 (1975).; Experiment - C. H. Wu and H. R. Ihle, J. Chem. Phys. 66, 4356 (1977).
  8. The high activation energy for D + HF exchange. Theory - C. F. Bender, B. J. Garrison, and H. F. Schaefer, J. Chem. Phys. 62, 1189 (1975). Experiment - F. E. Bartoszek, D. M. Manos, and J. C. Polanyi, J. Chem. Phys. 69, 933 (1978).
  9. The existence of a novel class of molecular complexes including Li - H2O. Theory - M. Trenary, H. F. Schaefer, and P. Kollman, J. Amer. Chem. Soc. 99, 3885 (1977). Experiment - P. F. Meier, R. H. Hauge, and J. L. Margrave, J. Amer. Chem. Soc. 100, 2108 (1978).
  10. The identification of the interstellar molecule HNC. Theory - P. K. Pearson, G. L. Blackman, H. F. Schaefer, B. Roos, and U. Wahlgren, Astrophys. J. 189, L19 (1973). Experiment - R. A. Creswell and A. G. Robiette, Mol. Phys. 36, 869 (1978).
  11. The identification of the triplet-triplet electronic spectrum of acetylene. Theory - R. W. Wetmore and H. F. Schaefer J. Chem. Phys. 69, 1648 (1978). Experiment - H. R. Wendt, H. Hippler, and H. E. Hunziker, J. Chem. Phys. 70, 4044 (1979). In addition to enabling experiment in the identification of the triplet-triplet spectrum, theory also reversed the experimental conclusions that the lowest triplet state of acetylene is either linear or trans bent. In fact the lowest triplet state of acetylene is cis bent, as predicted by Wetmore and Schaefer.
  12. The precise (within 3 cm-1) prediction of the vibrational frequency of the simplest ionic nitrene, LiN. Theory - C. E. Dykstra, P. K. Pearson, and H. F. Schaefer, J. Amer. Chem. Soc. 97, 2321 (1975). Experiment - F. W. Froben, J.Mol.Structure 60, 293 (1980).
  13. The energetic relationship between the closely spaced c - and A 3u electronic states of S2. Theory - W. C. Swope, Y.-P. Lee, and H. F. Schaefer, J. Chem. Phys. 70, 947 (1979). Experiment - V. E. Bondybey and J. H. English, J. Chem. Phys. 72, 3113 (1980).
  14. The mechanism of formation of HCN and HNC in interstellar molecular clouds. Theory - M. P. Conrad and H. F. Schaefer, Nature (London) 274, 456 (1978): T. L. Allen, J. D. Goddard, and H. F. Schaefer, J. Chem. Phys, 73, 3255 (1980). Experiment - R. D. Brown and E. Rice, Phil. Trans. Roy. Soc. (London) A303, 523 (1981).
  15. The identification of interstellar HCO+. Theory - U. Wahlgren, B. Liu, P. K. Pearson, and H. F. Schaefer, Nature 246, 4 (1973). Experiment - R. C. Woods, R. J. Saykally, T. G. Anderson, T. A. Dixon, and P. G. Szanto, J. Chem. Phys. 75, 4256 (1981).
  16. The discovery that the supposedly “aromatic” carbene cycloheptatrienylidene is in fact cyclohepta -1,2,4,6 -tetraene. Theory - L. Radom, H. F. Schaefer, and M. A. Vincent, Nouv. J. Chim. 4, 411 (1980). Experiment - W. M. Jones and C. L. Ennis, J. Amer. Chem. Soc. 91, 6391 (1969). Revision of experiment by P. R. West, O. L. Chapman, and J. -P. Le Roux, J. Amer. Chem. Soc. 104, 1779 (1982).
  17. The singlet-triplet energy splitting of trimethylenemethane. Theory - D. R. Yarkony and H. F. Schaefer, J. Amer. Chem. Soc. 96, 3754 (1974). Experiment - P. Dowd and M. Chow, J. Amer. Chem. Soc. 99, 6438 (1977); M. S. Platz and J. A. Berson, J. Amer. Chem. Soc. 99, 5178 (1977). Revision of experiment by M. R. Mazur and J. A. Berson, J. Amer. Chem. Soc. 104, 2217 (1982).
  18. The heat of formation of hydroxycarbene. Theory - R. R. Lucchese and H. F. Schaefer, J. Amer. Chem. Soc. 100, 298 (1978). Experiment - C. F. Pau and W. J. Hehre, J. Phys. Chem. 86, 1252 (1982).
  19. The methylene singlet-triplet separation. Theory - C. F. Bender, H. F. Schaefer, D. R. Franceschetti, and L. C. Allen, J. Amer. Chem. Soc. 94, 6888 (1972). Experiment - P. F. Zittel, G. B. Ellison, S. V. ONeil, E. Herbst, W. C. Lineberger, and W. P. Reinhardt, J. Amer. Chem. Soc. 98, 3731 (1976). Revision of experiment by C. C. Hayden, D. M. Neumark, K. Shobatake, R. K. Sparks, and Y. T. Lee, J. Chem. Phys. 76, 3607 (1982).
  20. The quadrupole moment of methylsilane. Theory - D. H. Liskow and H. F. Schaefer, J. Amer. Chem. Soc. 94, 6641 (1972). Experiment - R. L. Shoemaker and W. H. Flygane, J. Amer. Chem. Soc. 94, 684 (1972). Revision of experiment by W. L. Meerts and I. Ozier, J. Mol. Spectroscopy 94, 38 (1982).
  21. The existence of the very low-lying a 4+ quartet state of the CN radical. Theory - T. G. Heil and H. F. Schaefer, J. Chem. Phys. 54, 2573 (1971). Experiment - Y. Ozaki, H. Ito, K. Suzuki, T. Kondow, and K. Kuchitsu, Chem. Phys. 80, 85 (1983).
  22. The high resolution infrared spectrum of H3O+. Theory - M. H. Colvin, G. P. Raine, H. F. Schaefer, and M. Dupuis, J. Chem. Phys. 79, 1551 (1983). Experiment - M. H. Begemann, C. S. Gudeman, J. Pfaff, and R. J. Saykally, Phys. Rev. Lett. 51, 554 (1983).
  23. The substantial activation energy for the unimolecular rearrangment of methylsilylene. Theory - Y. Yoshioka and H. F. Schaefer, J. Amer. Chem. Soc. 103, 7366 (1981). Experiment - T. J. Drahnak, J. Michl, and R. West, J. Amer. Chem. Soc. 103, 1845 (1981); R. T. Conlin and D. L. Wood, J. Amer. Chem. Soc. 103, 1843 (1981). Experiment revised by C. A. Arrington, R. West, and J. Michl, J. Amer. Chem. Soc. 105, 6176 (1983).
  24. The unimolecular dissociation mechanism of glyoxal. Theory - Y. Osamura, H. F. Schaefer, M. Dupuis, and W. A. Lester, J. Chem. Phys. 75, 5828 (1981). Experiment - C. S. Parmenter, J. Chem. Phys. 41, 658 (1964). Revision of experiment by J. W. Hepburn, R. J. Buss, L. J. Butler, and Y. T. Lee, J. Phys. Chem. 87, 3638 (1983).
  25. The high activation energy for D2 + H2 four-center exchange. Theory - C. F. Bender and H. F. Schaefer, J. Chem. Phys. 57, 217 (1972), and references therein. Experiment - S. H. Bauer and E. Ossa, J. Chem. Phys. 45, 434 (1966). Revision of experiment by A. Lifshitz, M. Bidani, and H. F. Carroll, J. Chem. Phys. 79, 2742 (1983), and M. J. Rabinowitz and W. C. Gardiner, Chem. Phys. Lett. 124, 63 (1986).
  26. The high resolution infrared spectrum of the molecular ion NH4+. Theory - Y. Yamaguchi and H. F. Schaefer, J. Chem. Phys. 73, 2310 (1980). Experiment - M. W. Crofton and T. Oka, J. Chem. Phys. 79, 3157 (1983); E. Schäfer, M. H. Begemann, C. S. Gudeman, and R. J. Saykally, J. Chem. Phys. 79, 3159 (1983).
  27. The nonexistence of the experimentally assigned B~ 1A” state of HCN. Theory - G. M. Schwenzer, S. V. O’Neil, H. F. Schaefer, C. P. Baskin, and C. F. Bender, J. Chem. Phys. 60, 2787 (1974). Experiment - G. Herzberg and K. K. Innes, Can. J. Phys. 35, 842 (1957). Revision of experiment by G. A. Bickel and K. K. Innes, Can. J. Phys. 62, 1763 (1984).
  28. The small exothermicity for the reaction CH3 - SiH—› H2C = SiH2. Theory - J. D. Goddard, Y. Yoshioka, and H. F. Schaefer, J. Amer. Chem. Soc. 102, 7644 (1980). Experiment - C. F. Pau, W. J. Pietro, and W. J. Hehre, J. Amer. Chem. Soc. 105, 16 (1983). Experiment revised by G. Maier, G. Mihm, and H. P. Reisenauer, Chem. Ber. 117, 2351, 2369 (1984).
  29. The use of predicted infrared intensities to identify the long-elusive cyclopropenylidene molecule. Theory - T. J. Lee, A. Bunge, and H. F. Schaefer, J. Amer. Chem. Soc. 107, 137 (1985). Experiment - H. P. Reisenauer, G. Maier, A. Riemann, and R. W. Hoffmann, Agnew. Chem. Int. Ed. Engl. 23, 641 (1984).
  30. The remarkable cyclic structure of the SiC2 molecule. Theory - R. S. Grev and H. F. Schaefer, J. Chem. Phys. 80, 3552 (1984). Experiment - D. L. Michalopoulos, M. E. Geusic, P. R. R. Langridge-Smith, and R. E. Smalley J. Chem. Phys. 80, 3556 (1984).
  31. The stability of ground state triplet methylnitrene in the absence of collisions. Theory - J. Demuynck, D. J. Fox, Y. Yamaguchi, and H. F. Schaefer, J. Amer. Chem. Soc. 102, 6204 (1980). Experiment - P. G. Carrick and P. C. Engelking, J. Chem. Phys. 81, 1661 (1984).
  32. The vibrational frequencies of H2CN+. Theory - T. J. Lee and H. F. Schaefer, J. Chem. Phys. 80, 2977 (1984). Experiment - R. S. Altman, M. W. Crofton, and T. Oka, J. Chem. Phys. 81, 4255 (1984).
  33. The vibrational frequencies of the anions NH2- and C2H-. Theory - T. J. Lee and H. F. Schaefer, J. Chem. Phys. 83, 1784 (1985). Experiment - L. M. Tack, N. H. Rosenbaum, J. C. Owrutsky, and R. J. Saykally, J. Chem. Phys. 85, 4222 (1986); K. M. Ervin and W. C. Lineberger, J. Phys. Chem. 95, 1167 (1991).
  34. The infrared spectrum of protonated carbon dioxide. Theory - M. J. Frisch, H. F. Schaefer, and J. S. Binkley, J. Phys. Chem. 89, 2192 (1985). Experiment - T. Amano and K. Tanaka, J. Chem. Phys. 83, 3721 (1985).
  35. The high resolution infrared spectrum of HN2O+. Theory - J. E. Rice, T. J. Lee, and H. F. Schaefer, Chem. Phys. Lett. 130, 333 (1986). Experiment - T. Amano, Chem. Phys. Lett. 127, 101 (1986). Note that in this case the contribution of theory was to overturn the earlier experimental conclusion [T. B. McMahon and P. Kebarle, J. Chem. Phys. 83, 3919 (1985)] that NNO is nitrogen protonated.
  36. The linear equilibrium geometry of the manganese dihydride (MnH2) molecule. Experiment - R. J. Van Zee, T. C. DeVore, J. L. Wilkinson, and W. Weltner, J. Chem. Phys. 69, 1869 (1978). Theory - J. Demuynck and H. F. Schaefer, J. Chem. Phys. 72, 311 (1980). Experiment revised by A. E. S. Miller, C. S. Feigerle, and W. C. Lineberger, J. Chem. Phys. 84, 4127 (1986).
  37. The vibrational frequencies of the acetylene radical cation. Theory - T. J. Lee, J. E. Rice, and H. F. Schaefer, J. Chem. Phys. 86, 3051 (1987). Experiment - M. W. Crofton, M.-F. Jagon, B. D. Rehfuss, and T. Oka, J. Chem. Phys. 86, 3755 (1987).
  38. The reversal of Hirota’s experimental assignment of the bifluoride anion (FHF-) infrared spectrum. Theory - C. L. Janssen, W. D. Allen, H. F. Schaefer, and J. M. Bowman, Chem. Phys. Lett. 131, 352 (1986). Experiment - K. Kawaguchi and E. Hirota, J. Chem. Phys. 84, 2953 (1986). Experiment revised by K. Kawaguchi and E. Hirota, J. Chem. Phys. 87, 6838 (1987).
  39. The triple whammy mechanism for the fragmentation of s-tetrazine. Theory - A. C. Scheiner, G. E. Scuseria, and H. F. Schaefer, J. Amer. Chem. Soc. 108, 8160 (1986). Experiment - J. H. Glownia and S. J. Riley, Chem. Phys. Lett. 71, 429 (1980). Revision of experiment by X. Zhao, W. B. Miller, E. J. Hintsa, and Y. T. Lee, J. Chem. Phys. 90, 5527 (1989).
  40. The antisymmetric C-H stretch of the vinyl cation. Theory - T. J. Lee and H. F. Schaefer, J. Chem. Phys. 85, 3437 (1986). Experiment - M. W. Crofton, M.-F. Jagod, B. D. Rehfuss, and T. Oka, J. Chem. Phys. 91, 5139 (1989). The only fundamental observed to date for C2H3+ is the antisymmetric C–H stretch at 3142.2 cm-1. Theory earlier predicted this fundamental at 3149 cm-1 with very strong IR intensity.
  41. The existence of vinylidene as a very shallow minimum on the C2H2 potential energy hypersurface. Theory - C. E. Dykstra and H. F. Schaefer, J. Amer. Chem. Soc. 100, 1378 (1978). Experiment - K. M. Ervin, J. Ho, and W. C. Lineberger, J. Chem. Phys. 91, 5974 (1989).
  42. The existence of ethylenedithione (SCCS) as a stable species. Theory - G. P Raine, H. F. Schaefer, and R. C. Haddon, J. Amer. Chem. Soc. 105, 194 (1983). Experiment - D. Süzle and H. Schwartz, Angew. Chem. Int. Ed. Engl. 27, 1337 (1988); G. Maier, H. P. Reisenauer, J. Schrot, and R. Janoschek, Angew. Chem. Int. Ed. Engl. 29, 1464 (1990); C. Wentrup, P. Kambouris, R. Evans, D. Owen, G. Macfarlane, J. Chuche, J. C. Pammelet, A. B. Cheikh, M. Plisniér, and R. Flammang, J. Am. Chem. Soc. 113, 3130 (1991).
  43. The hotly contested prediction that the structure of the second conformer of butadiene is gauche and not cis. Theory - J. Breulet, T. J. Lee, and H, F, Schaefer, J. Amer. Chem. Soc. 106, 6250 (1984). Experiment - J. J. Fisher and J. Michl, J. Amer. Chem. Soc. 109, 1056 (1987). Experiment revised by K. B. Wiberg and R. E. Rosenberg, J. Amer. Chem. Soc. 112, 1509 (1990).
  44. The existence and structure of the aluminum-methylene and aluminum-methyl species. Theory - D. J. Fox, D. Ray, P. C. Rubesin, and H. F. Schaefer, J. Chem. Phys. 73, 3246 (1980). Experiment - R. Srivinas, D. Sülzle, and H. Schwarz, J. Amer. Chem. Soc. 112, 8334 (1990).
  45. The non-classical structure for a methyleneborane. Theory - G. Frenking and H. F. Schaefer, Chem. Phys. Lett. 109, 521 (1984). Experiment - C. Wieczorek, J. Allwohn, G. Schmidt - Lukasch, R. Hunold, W. Massa, and A. Berndt, Angew. Chem. Int. Ed. Engl. 29, 398 (1990).
  46. The infrared spectrum of difluoroacetylene. Theory - M. M. Gallo and H. F. Schaefer, J. Chem. Phys. 93, 865 (1990). Experiment - H. Bürger and S. Sommer, J. Chem. Soc. (London) Chem. Comm. 456 (1991).
  47. The heat of formation of the important strained ring compound bicyclobutene. Theory - B. A. Hess, W. D. Allen, D. Michalska, L. J. Schaad, and H. F. Schaefer, J. Amer. Chem. Soc. 109, 1615 (1987). Experiment - P. K. Chou and S. R. Kass, J. Amer. Chem. Soc. 113, 697 (1991).
  48. The C=Si bond distance in silaethylene. Theory - D. M. Hood and H. F. Schaefer, J. Chem. Phys. 68, 2985 (1978). Experiment - P. G. Mahaffy, R. Gutowsky, and L. K. Montgomery, J. Amer. Chem. Soc. 102, 2854 (1980). Experiment revised by H. S. Gutowsky, J. Chen, P. J. Hajduk, J. D. Keen, C. Chaung, and T. Emilsson, J. Amer. Chem. Soc. 113, 4747 (1991).
  49. The prediction that SiOH (lower energy) and HSiO (higher energy) are clearly distinguishable molecules. Theory - G. Frenking and H. F. Schaefer, J. Chem. Phys. 82, 4585 (1985). Experiment - R. J. Van Zee, P. F. Ferrante, and W. Weltner, J. Chem. Phys. 83, 6181 (1985). The SiOH isomer was first observed by R. Srivinas, D. Sülzle, W. Koch, C. H. DePuy, and H. Schwarz, J. Amer. Chem. Soc. 113, 5970 (1991).
  50. The qualitative reassignment of the CC triple bond stretching frequency of o-benzyne. Theory - A. C. Scheiner, H. F. Schaefer, and B. Liu, J. Amer. Chem. Soc. 111, 3118 (1989). At least four independent experiments (1973-1987) incorrectly identified the benzyne CC stretch at ~2085 cm-1. The problem was eventually resolved by J. G. Radziszewski, B. A. Hess, and R. Zahradnik, J. Amer. Chem. Soc. 114, 52 (1992), following the first correct (but hotly disputed) experiment by D. G. Leopold, A. E. S. Miller, and W. C. Lineberger, J. Amer. Chem. Soc. 108, 1379 (1986).
  51. The existence and IR spectra of the NS2 and NSS isomers of nitrogen disulfide. Theory - Y. Yamaguchi, Y. Xie, R. S. Grev, and H. F. Schaefer, J. Chem. Phys. 92, 3683 (1990). Experiment - P. Hassanzadeh and L. Andrews, J. Amer. Chem . Soc. 114, 83 (1992).
  52. The singlet-triplet splittings in chloromethylene and bromomethylane. Theory – G. E. Scuseria, M. Duran, R. G. A. R. Maclagan, and H. F. Schaefer, J. Amer. Chem. Soc. 108, 3248 (1986). Experiment – M. K. Gilles, K. M. Ervin, J. Ho, and W. C. Lineberger, J. Phys. Chem. 96, 1130 (1992).
  53. The singlet-triplet energy separation of phenylnitrene (PhN). Theory - S. J. Kim, T. P. Hamilton, and H. F. Schaefer, J. Amer. Chem. Soc. 114, 5349 (1992). Experiment - P. S. Drzaic and J. I. Brauman, J. Amer. Chem. Soc. 106, 3443 (1984); P. S. Drzaic and J. I. Brauman, J. Phys. Chem. 88, 5285 (1984). Revision of experiment by M. J. Travers, D. C. Cowles, E. P. Clifford, and G. B. Ellison, J. Amer. Chem. Soc. 114, 8699 (1992).
  54. The detection of the electric quadrupole hyperfine structure of HCNH+. Theory - G. E. Scuseria, T. J. Lee, R. J. Saykally, and H. F. Schaefer, J. Chem. Phys. 84, 5711 (1986). Experiment - L. M. Ziurys, A. J. Apponi, and J. T. Yoder, Astrophys. J. 397, L123 (1992).
  55. The assignment of electronic transitions involving the c 1- and A  states of SO. Theory - W. C. Swope, Y.-P. Lee, and H. F. Schaefer, J. Chem. Phys. 71, 3761 (1979). Experiment - C.-C. Zen, F.-T. Tang, and Y.-P. Lee, J. Chem. Phys. 96, 8054 (1992).
  56. The extreme nonrigidity of the ammonia dimer and the dependence of its structure upon zero-point vibrational energy. Theory - M. J. Frisch, J. E. Del Bene, J. S. Binkley, and H. F. Schaefer, J. Chem. Phys. 84, 2279 (1986). Experiment - D. D. Nelson, G. T. Fraser, and W. Klemperer, J. Chem. Phys. 83, 6201 (1985). Revision of experiment by J. G. Loeser, C. A. Schmuttenmaer, R. C. Cohen, M. J. Elrod, D. W. Steyert, R. J. Saykally, R. E. Bumgarner, and G. A. Blake, J. Chem. Phys. 97, 4727 (1992).
  57. The successful prediction leading to the microwave spectroscopic observation of the remarkable monobridged structure of disilyne. Theory - B. T. Colegrove and H. F. Schaefer, J. Phys. Chem. 94, 5593 (1990). Experiment - M. Cordonnier, M. Bogey, C. Demuynck, and J.-L. Destombes, J. Chem. Phys. 97, 7984 (1992).
  58. The nonreactivity of quartet carbynes. Theory - B. R. Brooks and H. F. Schaefer, J. Chem. Phys. 67, 5146 (1977). Experiment - Z. Hou and K. D. Bayes, J. Phys. Chem. 96, 5685 (1992).
  59. The conclusion that the global minimum structure of silaacetylene is H2C=Si. Theory - M. R. Hoffmann, Y Yoshioka, and H. F. Schaefer, J. Amer. Chem. Soc. 105, 1084 (1983). Experiment - A. A. Bengali, Ph.D. Thesis, Department of Chemistry, University of Minnesota, November, 1992; M. Izuha, S. Yamamoto, and S. Saito, J. Chem. Phys. 105, 4923 (1996).
  60. The precise prediction of the first transition state vibrational frequency (for ketene) deduced from laboratory studies (Cover story Science, June 12, 1992). Theory - W. D. Allen and H. F. Schaefer, J. Chem. Phys. 89, 329 (1988). Experiment - E. R. Lovejoy, S. K. Kim, and C. B. Moore, Science 256, 1541 (1992).
  61. The asymmetric stretching frequency 3 in the CNN molecule. Experiment - D. E. Milligan and M. E. Jacox, J. Chem. Phys. 44, 2850 (1966). Theory - R. L. DeKock, R. S. Grev, and H. F. Schaefer, J. Chem. Phys. 89, 3016 (1988). Revision of experiment by B. E. Wurfel, A. Thoma, R. Schlachta, and V. E. Bondybey, Chem. Phys. Lett. 190, 119 (1992).
  62. The general prediction that the SN2 reaction at nitrogen should be feasible in the gas phase. Theory - M. Bühl and H. F. Schaefer, J. Amer. Chem. Soc. 115, 364 (1993). Experiment - F. M. Bickelhaupt, L. J. de Koning, and N. M. M. Nibbering, J. Org. Chem. 58, 2436 (1993).
  63. The bent equilibrium geometry of cyanomethylene. Theory - M. E. Zandler, J. D. Goddard, and H. F. Schaefer, J. Amer. Chem. Soc. 101, 1072 (1979). Six different experimental studies contended for a linear equilibrium geometry. The bent equilibrium geometry predicted by theory was finally suggested in the experimental papers by F. X. Brown, S. Saito, and S. Yamamoto, J. Mol. Spectroscopy 143, 203 (1990), and by C. L. Morter, S. K. Farhat, and R. F. Curl, Chem. Phys. Lett. 207, 153 (1993).
  64. The overthrow of the experimental rotational constants of the 2A2 state of nitrogen dioxide. Theory - T. D. Crawford and H. F. Schaefer, J. Chem. Phys. 99, 7926 (1993). Experiment - K. Shibuya, T. Kusumoto, H. Nagai, and K. Obi, J. Chem. Phys. 95, 720 (1991). Revision of experiment by K. Aoki, H. Nagai, K. Hoshina, and K. Shibuya, J. Phys. Chem. 97, 8889 (1993).
  65. The planar dibridged struture and vibrational frequencies of Al2H2. Theory - Z. Palagyi, R. S. Grev, and H. F. Schaefer, J. Amer. Chem. Soc. 115, 1936 (1993). Experiment - G. V. Chertihin and L. Andrews, J. Phys. Chem. 97, 10295 (1993).
  66. The vibrational frequencies of triplet trimethylenemethane. Theory - C. P. Blahous, Y. Xie, and H. F. Schaefer, J. Chem. Phys. 92, 1174 (1990). Experiment - G. Maier, H. P. Reisenauer, K. Lanz, R. Tross, D. Jurgen, B. A. Hess, and L. J. Schaad, Angew. Chem. Int. Ed. Engl. 32, 74 (1993).
  67. The successful challenge to experiment of the B–O bond distances in oxadiboriranes. Experiment - P. Paetzold, L. Geret-Baumgarten, and R. Boese, Agnew. Chem. Int. Ed. Engl. 31, 1040 (1992). Theory in concert with the revision of experiment - M. Bühl, H. F. Schaefer, P. R. Schleyer, and R. Boese, Agnew. Chem. Int. Ed. Engl. 32, 1154 (1993).
  68. The stilletto-like prediction of the elusive proton affinity of ozone (July 11, 1994 issue of Chemical & Engineering News; July 8, 1994 issue of Science). Theory - C. Meredith, G. E. Quelch, and H. F. Schaefer, J. Amer. Chem. Soc. 113, 1186 (1991). Experiment - F. Cacace and M. Speranza, Science 265, 208 (1994).
  69. The barrier to linearity for the polytopic SiC2 molecule. Theory – R. S. Grev and H. F. Schaefer, J. Chem. Phys. 80, 3552 (1984). Experiment – S. C. Ross, T. J. Butenhof, E. A. Rohlfing, and C. M. Rohlfing, J. Chem. Phys. 100, 4110 (1994).
  70. The establishment of the metastability of cyanovinylidene. Theory - C.-H. Hu and H. F. Schaefer, J. Phys. Chem. 97, 10681 (1993). Experiment - N. Goldberg and H. Schwarz, J. Phys. Chem. 98, 3080 (1994).
  71. The infrared spectra of the C2H2Si isomers 1-silacyclopropenylidene, ethynylsilylene, and vinylidenesilanediyl. Theory - G. Frenking, R. B. Remington, and H. F. Schaefer, J. Amer. Chem. Soc. 108, 2169 (1986). Experiment - G. Maier, H. P. Reisenauer, and H. Pacl, Angew. Chem. Int. Ed. Engl. 33, 1248 (1994).
  72. The crystal structure of tris (trimethylsilyl) tetraethynylmethane. Theory - B. Ma, H. M. Sulzbach, Y. Xie, and H. F. Schaefer, J. Amer. Chem. Soc. 116, 3529 (1994). Experiment - K. S. Feldman, C. M. Kraebel, and M. Parvez, J. Amer. Chem. Soc. 115, 3846 (1993). Revision of experiment by K. S. Feldman, C. K. Weinreb, W. J. Youngs, and J. D. Bradshaw, J. Amer. Chem. Soc. 116, 9019 (1994).
  73. The microwave spectroscopic identification of the silanone (HSiO) molecule. Theory - B. Ma and H. F. Schaefer, J. Chem. Phys. 101, 2734 (1994). Experiment - S. Bailleux, M. Bogey, C. Demuynck, J.-L. Destombes, and A. Walters, J. Chem. Phys. 101, 2729 (1994).
  74. The structures of two isomers of glycine. Theory - C. H. Hu and H. F. Schaefer, J. Amer. Chem. Soc. 115, 2923 (1993). Experiment - P. D. Godfrey and R. D. Brown, J. Amer. Chem. Soc. 117, 2019 (1995).
  75. The structure and high barrier to complete scrambling for SiH5+. Theory - C. H. Hu, M. Shen, and H. F. Schaefer, Chem. Phys. Lett. 190, 543 (1992). Experiment - D. W. Boo and Y. T. Lee. J. Chem. Phys. 103, 514 (1995).
  76. The conclusion that CH5+ is structureless in the conventional sense. Theory - P. R. Schreiner, S. J. Kim, H. F. Schaefer, and P. R. Schleyer, J. Chem. Phys. 99, 3716 (1993). Commentary - G. E. Scuseria, Nature 366, 512 (1993). Experiment - D. W. Boo and Y. T. Lee, J. Chem. Phys. 103, 520 (1995).
  77. The almost octahedral (as opposed to trigonal prismatic) structure of hexamethyl tellurium. Theory - J. E. Fowler, T. P. Hamilton, and H. F. Schaefer, J. Amer. Chem. Soc. 115, 4155 (1993). Experiment - A. Haaland, H. P. Verne, H. V. Volden, and J. A. Morrison, J. Amer. Chem. Soc. 117, 7554 (1995).
  78. Germiranes are significantly less stable than siliranes. Theory - D. A. Horner, R. S. Grev, and H. F. Schaefer, J. Amer. Chem. Soc. 114, 2093 (1992). Experiment - R. Becerra, S. E. Boganov, M. P. Egorov, V. Ya. Lee, O. M. Nefedov, and R. Walsh, Chem. Phys. Lett. 250, 111 (1996).
  79. The existence of the stubbornly elusive oxywater (H2OO) and its radical cation. Theory - C. Meredith, T. P. Hamilton, and H. F. Schaefer, J. Chem. Phys. 96, 9250 (1992).; Y. Xie, W. D. Allen, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 104, 7615 (1996). Experiment - D. Schröder, C. A. Schalley, N. Goldberg, J. Hrusak, and H. Schwarz, Chem. Eur. J. 2, 1235 (1996).
  80. The pure rotational spectrum of AlCH3. Theory - S. Q. Jin, Y. Xie, and H. F. Schaefer, J. Chem. Phys. 95, 1834 (1991). Experiment - J. S. Robinson and L. M. Ziurys, Astrophys. J. Lett. 472, L131 (1996).
  81. The anti-geared bending frequency of the hydrogen fluoride dimer. Experiment - M. Quack and M. Suhm, J. Chem. Phys. 95, 28 (1991). Theory - C. L. Collins, K. Morihashi,Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 103, 6051 (1995). Revision of experiment - D. T. Anderson, S. Davis, and D. J. Nesbitt, J. Chem. Phys. 105, 4488 (1996).
  82. The electron affinity of the BO molecule. Experiment - R. D. Srivastava, O. M. Uly, and M. Farber, Trans. Faraday Soc. 67, 2941 (1971). Theory - J. C. Rienstra and H. F. Schaefer, J. Chem. Phys. 106, 8278 (1997). Revision of experiment - P. G. Wenthold, J. B. Kim, K.-L. Jonas, and W. C. Lineberger, J. Phys. Chem. A 101, 4472 (1997).
  83. The millimeter-wave spectrum of AlNC Theory - B. Ma, Y. Yamaguchi, and H. F. Schaefer, Mol. Phys. 86, 1331 (1995). Experiment - J. S. Robinson, A. J. Apponi, and L. M. Ziurys, Chem. Phys. Lett. 278, 1 (1997).
  84. The linear, centrosymmetric structure of N4+. Theory - S. C. deCastro, H. F. Schaefer, and R. M. Pitzer, J. Chem. Phys. 74, 550 (1981). Experiment - T. Speck, T. Ruchti, H. Linnartz, and J. P. Maier, J. Mol. Sprectroscopy 185, 425 (1997).
  85. Differentiation of the trans and cis rotamers of formic acid based on infrared intensities. Theory - J. D. Goddard, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 96, 1158 (1992). Experiment - M. Pettersson, J. Lundell, L. Khriachtchev, and M. Räsänen, J. Amer. Chem. Soc. 119, 11715 (1997).
  86. The unusually low O-H stretching vibrational frequency in HO2+. Theory - G. E. Quelch, Y. Xie, B. F. Yates, Y. Yamaguchi, and H. F. Schaefer, Mol. Phys. 68, 1095 (1989). Experiment - S. A. Nizkorodov, D. Roth, R. V. Olkhov, J. P. Maier, and O. Dopfer, Chem. Phys. Lett. 278, 26 (1997).
  87. The unequal bond lengths in the equilibrium geometry of the state of NO2. Theory - T. D. Crawford, J. F. Stanton, P. G. Szalay, and H. F. Schaefer, J. Chem. Phys. 107, 2525 (1997). Experiment - K. Shibuya, C. Terauchi, M. Sugawara, K. Aoki, K. Tsuji, and S. Tsuchiya, J. Mol. Struct. 413, 501 (1997).
  88. The noncerted mechanism for the extrusion of molecular nitrogen from azomethane. Theory - C.-H. Hu and H. F. Schaefer, J. Phys. Chem. 99, 7507 (1995). Experiment - E. W.-G. Diau, O. K. Abou-Zied, A. A. Scala, and A. H. Zewail, J. Amer. Chem. Soc. 120, 3245 (1998).
  89. High precision (±0.1 kcal/mole) prediction of the heat of formation of triplet methylene. Theory - R. S. Grev and H. F. Schaefer, J. Chem. Phys. 97, 8389 (1992). Experiment - M. Litorja and B. Ruscic, J. Chem. Phys. 108, 6748 (1998).
  90. The kinked structure of cyclopenta-2, 4-dienylideneketene. Theory - A. C. Scheiner and H. F. Schaefer, J. Amer. Chem. Soc. 114, 4758 (1992). Experiment - J. G. Radiszewski, P. Kaszynski, A. Friderichsen, and J. Abildgaard, Collect. Czech. Chem. Commun. 63, 1094 (1998).
  91. The barrier to linearity for DCCN. Theory - E. T. Seidl and H. F. Schaefer, J. Chem. Phys. 96, 4449 (1992). Experiment - F. Sun, A. Kosterev, G. Scott, V. Litosh, and R. F. Curl, J. Chem. Phys. 109, 8851 (1998).
  92. Silaketene is pyramidal and not ketene-like. Theory – T. P. Hamilton and H. F. Schaefer, J. Chem. Phys. 90, 1031 (1989). Experiment – G. Maier, H. P. Reisenauer, and H. Egenolf, Organometallics 18, 2155 (1999).
  93. The SiC3 molecule is rhombohedral. Theory – I. L. Alberts, R. S. Grev, and H. F. Schaefer, J. Chem. Phys. 93, 5046 (1990). Experiment – M. C. McCarthy, A. J. Apponi, and P. Thaddeus, J. Chem. Phys. 110, 10645 (1999).
  94. Precise prediction of the rotational constant of AlCN. Theory - B. Ma, Y. Yamaguchi, and H. F. Schaefer, Mol. Phys. 86, 1331 (1995). Experiment - I. Gerasimov, X. Yang, and P. J. Dagdigian, J. Chem. Phys. 110, 220 (1999). AlNC lies lower in energy than AlCN. Theory – ibid. Experiment – K. A. Walker and M. C. L. Gerry, Chem. Phys. Lett. 301, 200 (1999).
  95. The existence of a long-lived vinylidene radical cation. Theory - T. P. Hamilton and H. F. Schaefer, J. Phys. Chem. 93, 7560 (1989). Experiment - S. Hayakawa, M. Takahashi, K. Arakawa, and N. Morishita, J. Chem. Phys. 110, 2745 (1999).
  96. The equilateral triangle (D3h) structure of the 3A2ground state of P3-. Theory - T. P. Hamilton and H. F. Schaefer, Chem. Phys. Lett. 166, 303 (1990). Experiment - R. J. Van Zee and W. Weltner, Chem. Phys. Lett. 300, 243 (1999).
  97. The rotational constants of Fe(CO)5. Theory - J. H. Jang. J. G. Lee, H. Lee, Y. Xie, and H. F. Schaefer, J. Phys. Chem. A 102, 5298 (1998). Experiment - M. Lorono, D. A. Dolson, and P. B. Davies, Molecular Physics 97, 695 (1999).
  98. A second rhombohedral isomer of SiC3. Theory - I. L. Alberts, R. S. Grev, and H. F. Schaefer, J. Chem. Phys. 93, 5046 (1990). Experiment - M. C. McCarthy, A. J. Apponi, and P. Thaddeus, J. Chem. Phys. 111, 7175 (1999).
  99. The purported extremely short C=C double bond in 3-ethynylcyclopropene. Experiment - K. M. Baldridge, B. Biggs, D. Bläser, R. Boese, R. D. Gilbertson, M. M. Haley, A. H. Maulitz, and J. S. Siegel, J. Chem. Soc. Chem. Comm. 1137 (1998). Theory - S. S. Wesolowski, J. M. Gonzales, P. R. Schleyer, and H. F. Schaefer, J. Chem. Soc. Chem. Comm. 439 (1999). Revision of experiment - J. B. Dunitz, J. Chem. Soc. Chem. Comm. 2547 (1999).
  100. Assignment of the dominant F- • H2O mid-IR band at 2930 cm-1 to the 2 ¬ 0 overtone transition of the ionic H-bonded OH. Theory - B. F. Yates, H. F. Schaefer, T. J. Lee, and J. E. Rice, J. Amer. Chem. Soc. 110, 6327 (1988). Experiment - P. Ayotte, J. A. Kelley, S. B. Nielsen, and M. A. Johnson, Chem. Phys. Lett. 316, 455 (2000).
  101. The Jahn-Teller distorted electronic ground state of vanadium tetrahydride. Theory - D. M. Hood, R. M. Pitzer, and H. F. Schaefer, J. Chem. Phys. 71, 705 (1979). Experiment - J. T. Graham, L. Li, and W. Weltner, J. Phys. Chem. A 104, 9302 (2000).
  102. The red-shift of the OH stretch in the important complex H2O • OH. Theory - Y. Xie and H. F. Schaefer, J. Chem. Phys. 98, 8829 (1993). Experiment - V. S. Langford, A. J. McKinley, and T. I. Quickenden, J. Amer. Chem. Soc. 122, 12859 (2000).
  103. The precise prediction of the very large (5.2 eV) electron affinity of chlorine tetroxide. Theory - T. J. Van Huis and H. F. Schaefer, J. Chem. Phys. 106, 4028 (1997). Experiment - X.-B. Wang and L.-S. Wang, J. Chem. Phys. 113, 10928 (2000).
  104. The linearity of the carbon cluster C10 and its ground state rotational constant. Theory - C. Liang and H. F. Schaefer, Chem. Phys. Lett. 169, 150 (1990). Experiment - T. F. Giesen, U. Berndt, K. M. T. Yamada, G. Fuchs, R. Schieder, G. Winnewisser, R. A. Provencal, F. N. Keutsch, A. Van Orden, and R. J. Saykally, Cover Article, Chem. Phys. Chem. 2, 242 (2001).
  105. The infrared spectrum of the trifluoromethoxy radical. Theory - R. A. Morris, T. M. Miller, J. F. Paulson, A. A. Viggiano, M. T. Feldman, R. A. King, and H. F. Schaefer, J. Chem. Phys. 110, 8436 (1999). Experiment - G. A. Argüello and H. Willner, J. Phys. Chem. A 105, 3466 (2001).
  106. Generation of a triplet ground state silylene. Theory - R. S. Grev, H. F. Schaefer, and P. P. Gaspar, J. Amer. Chem. Soc. 113, 5638 (1991). Experiment - P. Jiang and P. P. Gaspar, J. Amer. Chem. Soc. 123, 8622 (2001).
  107. The prediction of three distinct low-lying isomers of Ga2H2. Theory – Z. Palagyi, H. F. Schaefer, and E. Kapuy, Chem. Phys. Lett. 203, 195 (1993). Experiment – H.–J. Himmel, L. Manceron, A. J. Downs, and P. Pullumbi, Angew. Chem. Int. Ed. 41, 796 (2002).
  108. Identification of the butterfly structure of Ge2H2 via the extraordinarily high IR intensity of the antisymmetric (b2) Ge-H2-Ge stretching fundamental. Theory - Z. Palagyi, H. F. Schaefer, and E. Kapuy, J. Amer. Chem. Soc. 115, 6901 (1993). Experiment - X. Wang, L. Andrews, and G. P. Kushto, J. Phys. Chem. A 106, 5809 (2002).
  109. The reversion of stability of the benzene and Dewar benzene structures between [4] paracyclophane and [5] paracyclophane. Theory - B. Ma, H. M. Sulzbach, R. B. Remington, and H. F. Schaefer, J. Amer. Chem. Soc. 117, 8392 (1995). Experiment - T. Tsuji, M. Okuyama, M. Ohkita, H. Kawai, and T. Suzuki, J. Amer. Chem. Soc. 125, 951 (2003).
  110. Assignment of the 1741 cm-1 asymmetric bending motion of the water molecules in H5O2+. Theory - E. F. Valeev and H. F. Schaefer, J. Chem. Phys. 108, 7197 (1998). Experiment - K. R. Asmis, N. L. Pivonka, G. Santambroglio, M. Brümmer, C. Kaposta, D. M. Neumark, and L. Wöste, Science 299, 1375 (2003).
  111. The stability and infrared spectrum of the long-sought dialane (Al2H6) molecule. Theory - C. Liang, R. D. Davy, and H. F. Schaefer, Chem. Phys. Lett. 159, 393 (1989). Experiment - L. Andrews and X. Wang, Science 299, 2049 (2003).
  112. Identification of the H2O-OH complex via the intense isolated OH stretch, shifted by 100 cm-1. Theory - Y. Xie and H. F. Schaefer, J. Chem. Phys. 98, 8829 (1993). Experiment - A. Engdahl. G. Karlstrom, and B. Nelander, J. Chem. Phys. 118, 7797 (2003); P. D. Cooper, H. G. Kjaergaard, V. S. Langford, A. J. McKinley, T. I. Quickenden, and D. P. Schofield, J. Amer. Chem. Soc. 125, 6048 (2003).
  113. The controversial nature of methylcarbene (ethylidene). Theory - B. Ma and H. F. Schaefer, J. Amer. Chem. Soc. 116, 3539 (1994). Experiment - J. O’Reilly, S. Douin, S. Boye, N. Shafizadeh, and D. Gauyacq, J. Chem. Phys. 119, 820 (2003).
  114. The à 2B2 state of NO2 is a genuine minimum, not just an unbound conical intersection with the ~X 2A1 state. Theory - C. P. Blahous, B. F. Yates, Y. Xie, and H. F. Schaefer, J. Chem. Phys. 93, 8105 (1990). Experiment - R. Jost, M. G. Vergniory, and A. Campargue, J. Chem. Phys. 119, 2590 (2003).
  115. The rotational spectrum and molecular structure of the silicon trimer, Si3. Theory - R. S. Grev and H. F. Schaefer, Chem. Phys. Lett. 119, 111 (1985). Experiment - M. C. McCarthy and P. Thaddeus, Astrophys. J. 592, L91 (2003).
  116. The structure of the evanescent HSOH molecule. Theory - T. J. Lee, N. C. Handy, J. E. Rice, A. C. Scheiner, and H. F. Schaefer, J. Chem. Phys. 85, 3930 (1986). Experiment - G. Winnewisser, F. Lewen, S. Thornwirth, M. Behnke, J. Hahn, J. Gauss, and E. Herbst, Chem. Eur. J. 9, 5501 (2003).
  117. Importance of association reactions in gallium chemical vapor deposition (CVD). Theory - A. Y. Timoshkin, H. F. Bettinger, and H. F. Schaefer, J. Amer. Chem. Soc. 119, 5668 (1997). Experiment - A. Demchuk, S. Simpson, and B. Koplitz, J. Phys. Chem. A 107, 1727 (2003).
  118. The long carbon-carbon triple bond of o-benzyne. Theory - A. C. Scheiner, H. F. Schaefer, and B. Liu, J. Amer. Chem. Soc. 111, 3118 (1989). Experiment - S. G. Kukolich, M. C. McCarthy, and P. Thaddeus, J. Phys. Chem. A 108, 2645 (2004).
  119. The singlet planar cis global minimum structure of the S4 molecule. Theory - G. E. Quelch, H. F. Schaefer, and C. J. Marsden, J. Amer. Chem. Soc. 112, 8719 (1990). Experiment - M. C. McCarthy, S. Thorwirth, C. A. Gottlieb, and P. Thaddeus, J. Chem. Phys. 121, 632 2004.
  120. The existence of the silicon-silicon triple bond, via suitable substituents. Theory - B. S. Thies, R. S. Grev, and H. F. Schaefer, Chem. Phys. Lett. 140, 355 (1987). Experiment - A. Sekiguchi, R. Kinjo, and M. Ichinohe, Science 305,1755 (2004).
  121. The infrared spectrum of the adamantyl cation. Theory - G. Van, N. R. Brinkmann, and H. F. Schaefer, J. Phys. Chem. A 107, 9479 (2003). Experiment - N. Polfer, B. G. Sartakov, and J. Oomens, Chem. Phys. Lett. 400, 201, (2004).
  122. Structure of the long-sought H2O-OH radical complex. Theory - Y. Xie and H. F. Schaefer, J Chem. Phys. 98, 8829 (1993). Experiment - C. S. Brauer, G. Sedo, E. M. Grumstrup K. R. Leopold, M. D. Marshall, and H. O. Leung. Chem. Phys. Len. 401,420 (2005); Y. Ohshima, K. Sato, Y. Sumiyoshi, and Y. Endo, J. Amer. Chem. Soc. 127, 1108 (2005).
  123. The synthesis of novel [RGaNH]n nanorods is viable. Theory - A. Timoshkim and H. F. Schaefer, J. Amer. Chem. Soc. 126, 12141 (2004). Experiment - B. L. Kormos, J. A. Jegier, P. C. Ewbank, U. Pernisz, V. G. Young, C. J. Cramer, and W. L. Gladfelter, J. Amer. Chem. Soc. 127, 1493 (2005).
  124. Conical intersection between the 1B1 and 1A2 electronic states of ketene. Theory - W. D. Allen and H. F. Schaefer, J. Chem. Phys. 89, 329 (1988). Experiment - J. Liu, F. Wang, H. Wang, B. Jiang, and X. Yang, J. Chem. Phys. 122, 104309 (2005).
  125. The trans-bent silicon-silicon triple bond: an achievable synthetic target. Theory - B. T. Colegrove and H. F. Schaefer, J. Amer. Chem. Soc. 113, 1557 (1991). Experiment - M. Weidenbruch, Angew, Chem. Int. Ed. Engl. 44, 514 (2005).
  126. Precise prediction of the fundamental vibrational frequency of the A” 3S+ electronic state of SO. Theory - W. C. Swope, Y. P. Lee, and H. F. Schaefer, J. Chem. Phys. 71, 3761 (1979). Experiment - H. Wang, X. Tang, S. Zhou, W. Zhang, and Y. Chu, Chem. Phys. Lett. 407, 78 (2005).
  127. Quasilinearity and excitation energy of the B~ 1A1 electronic state of silylene. Theory - Y. Yamaguchi, T. Van Huis, C. D. Sherrill, and H. F. Schaefer, Theor. Chim. Acta 97, 341 (1997). Experiment - Y. Muromoto, H. Ishikawa, and N. Mikami, J. Chem. Phys. 122, 154302 (2005).
  128. The adenine - thymine base pair anion and its vertical detachment energy. Theory - N. A. Richardson, S. S. Wesolowski, and H. F. Schaefer, J. Phys. Chem. B 107, 848 (2003). Experiment - D. Radisic, K. H. Bowen, I. Dabkowska, P. Storoniak, J. Rak, and M. Gutowski, J. Amer. Chem. Soc. 127, 6443 (2005).
  129. The viability of the propylidene-mediated pathway for the unimolecular conversion of cyclopropane to propene. Theory - H. F. Bettinger, J. C. Rienstra-Kiracofe, B. C. Hoffman, H. F. Schaefer, J. E. Baldwin, and P. R. Schleyer, Chem. Commun. 1515 (1999). Experiment - J. E. Baldwin, L. S. Day, and S. R. Singer, J. Amer. Chem. Soc. 127, 9370 (2005).
  130. Tetrahedranyltetrahedrane contains the shortest known carbon-carbon single bond. Theory - Y. Xie and H. F. Schaefer, Chem. Phys. Lett. 161, 516 (1989); 168, 249 (1990). Experiment - M. Tanaka and A. Sekiguchi, Angew. Chem. 1nt. Ed. 44, 2 (2005); 44, 5821 (2005).
  131. The n5 vibrational frequency of the vinyl radical. Theory - K. W. Sattlemeyer and H. F. Schaefer, J. Chem. Phys. 117, 7914 (2002). Experiment - L. Letendre, D.-K. Liu, C. D. Pibel, J. B. Halpern, and H.-L. Dai, J. Chem. Phys. 112, 9209 (2000). Revision of experiment by H. Tanskanen, L. Khriachtev, M. Rasanen, V. I. Feldman, F. F. Sukhov, A. Y. Orlov, and D. A. Tyurih, J. Chem. Phys. 123, 064318 (2005).
  132. The viability of aluminirene (aluminacyclopropene). Theory - Y. Xie and H. F. Schaefer, J. Amer. Chem. Soc. 112, 5393 (1990). Experiment - H. Zhu, R. B. Oswald, H. Fan, H. W. Roesky, Q. Ma, Z. Yang, H.-G. Schmidt, M. Noltemeyer, K. Starke, and N. S. Hosmane, J. Amer. Chem. Soc. 128, 5100 (2006).
  133. The rovibronic band structure associated with the A~ 1A” state of isocyanogen. Theory - C. D. Sherrill and H. F. Schaefer, J. Chem. Phys. 100, 8920 (1994). Experiment - W. B. Lynch, H. A. Bechtel, A. H. Steeves, J. J. Curley, and R. W. Field, J. Chem. Phys. 126, 244307 (2007).
  134. Site selective dissociation of adenine upon low-energy electron attachment. Theory - F. A. Evangelista, A. Paul, and H. F. Schaefer, J. Phys. Chem. A 108, 3565 (2004). Experiment - S. Denifl, P. Sulzer, D. Huber, F. Zappa, M. Probst, T. D. Märk, P. Scheier, N. Injan, J. Limtrakul, R. Abouaf, and H. Dunet, Angew. Chem. Int. Ed. 46, 5238 (2007).
  135. The vertical detachment energies of the anions of thymidine, cytidine, and adenosine. Theory - N. A. Richardson, J. Gu, S. Wang, Y. Xie, and H. F. Schaefer, J. Amer. Chem. Soc. 126, 4404 (2004). Experiment - S. T. Stokes, X. Li, A. Grubisic, Y. J. Ko, and K. H. Bowen, J. Chem. Phys. 127, 084321 (2007).
  136. Relative abundances of HSCO+ and HOCS+. Theory - S. Wheeler, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 124, 044322 (2006). Experiment - M. C. McCarthy and P. Thaddeus, J. Chem. Phys. 127, 221104 (2007).
  137. Stable magnesium (I) compounds with Mg-Mg bonds. Theory - Y. Xie, H. F. Schaefer, and E. D. Jemmis, Chem. Phys. Lett. 402, 414 (2005). Experiment - S. P. Green, C. Jones, and A. Stasch, Science 318, 1754 (2007).
  138. Identification of the B~ - X~ electronic spectrum of CuOH. Experiment - C. N. Jarman, W. T. M. L. Fernando, and P. F. Bernath, J. Mol. Spectrosc. 145, 151 (1991). Theory - S. Wang, A. Paul, N. J. De Yonker, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 123, 014313 (2005). Revision of Experiment - C. Tao, C. Mukarakate, and S. A. Reid, Chem. Phys. Lett. 449, 282 (2007).
  139. The unpaired electrons of the G-C and A-T radical anions are localized to cytosine and thymine, respectively. Theory - N. A. Richardson, S. S. Wesolowski, and H. F. Schaefer, J. Amer. Chem. Soc. 124, 10163 (2002). N. A. Richardson, S. S. Wesolowski, and H. F. Schaefer, J. Phys. Chem. B 107, 848 (2003). Experiment - R. Yamagami, K. Kobayashi, and S. Tagawa, J. Amer. Chem. Soc. 130, 14772 (2008).
  140. HSiO and SiOH are well-separated equilibrium geometries. Theory - G. Frenking and H. F. Schaefer, J. Chem. Phys. 82, 4585 (1985). Experiment - M. C. McCarthy, T. Tamassia, D. E. Woon, and P. Thaddeus, J. Chem. Phys. 129, 184301 (2008).
  141. C4v symmetry and vibrational frequencies of SF5-. Theory - C. L. Lugez, M. E. Jacox, R. A. King, and H. F. Schaefer, J. Chem. Phys. 108, 9639 (1998). Experiment - J. D. Steill, J. Oomens, J. R. Eyler, and R. N. Compton, J. Chem. Phys. 129, 244302 (2008).
  142. The order of the dissociation energies for the removal of hydrogen atoms from the DNA bases. Theory - P. Bera and H. F. Schaefer, Proc. Natl. Acad. Sci. USA 102, 6698 (2005). Experiment - C.-R. Wang, J. Nguyen, and Q.-B. Lu, J. Amer. Chem. Soc. 131, 11320 (2009).
  143. The singlet-triplet separation in dichlorocarbene CCl2. Experiment - R. L. Schwartz, G. E. Davico, T. M. Ramond, and W. C. Lineberger, J. Phys. Chem. A 103, 8213 (1999). Theory - C. J. Barden and H. F. Schaefer, J. Chem. Phys. 112, 6515 (2000). Revision of experiment by S. W. Wren, K. M. Vogelhuber, K. M. Ervin, and W. C. Lineberger, Phys. Chem. Chem. Phys. 11, 4745 (2009).
  144. Structure of the elusive D3d symmetry unbridged Co2(CO)8 molecule. Theory – J. P. Kenny, R. B. King, and H. F. Schaefer, Inorg. Chem. 40, 900 (2001). Experiment – T. Y. Garcia, J. C. Fettinger, M. M. Olmstead, and A. P. Balch, J. Chem. Soc. (London) Chem. Comm. 7143 (2009).
  145. Definitive infrared signatures of the elusive NCCO radical. Experiment - W. McNavage and H.-L. Dai, J. Chem. Phys. 123, 184104 (2005). Theory - A. C. Simmonett, F. A. Evangelista, W. D. Allen, and H. F. Schaefer, J. Chem. Phys. 127, 014306 (2007). Revision of experiment by P. R. Schreiner, H. P. Reisenauer, M. Edit, A. G. Csaszar, A. C. Simmonett, and W. D. Allen, Phys. Chem. Chem. Phys. 11, 10385 (2009; and by W. Feng and J. F. Hershberger, Chem. Phys. Lett. 488, 140 (2010).
  146. Guanine enhances adjacent C-O bond cleavage in DNA strands. Theory – J. Gu, Y. Xie, and H. F. Schaefer, Nucleic Acids Research 35, 5165 (2007). Experiment – Z. Li, P. Cloutier, L. Sanche, and J. R. Wagner, J. Amer. Chem. Soc. 132, 5422 (2010).
  147. The vertical detachment energy of the monohydrated thymidine radical anion. Theory – S. Kim and H. F. Schaefer, J. Chem. Phys. 133, 144305 (2010). Experiment – X. Li, H. Wang, and K. H. Bowen, J. Chem. Phys. 133, 144304 (2010).
  148. The substantial barrier separating silynes from silylidenes. Theory – M. R. Hoffmann, Y. Yoshioka, and H. F. Schaefer, J. Amer. Chem. Soc. 105, 1084 (1983). Experiment: D. Gau, T. Kato, N. Saffon-Merceron, A. DeCozar, F. P. Cossio, and A. Baceiredo, Angew. Chem. Int. Ed. 49, 6585 (2010).
  149. Water dimer O-H stretching vibration infrared intensities. Theory – G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer, and M. Quack, J. Chem. Phys. 116, 690 (2002), Experiment – J. Ceponkus, P. Uvdal, and B. Nelander, J. Phys. Chem. A 112, 3921 (2008); K. Kuyanov-Prozument, M. Y. Choi, and A. F. Vilesov, J. Chem. Phys. 132, 014304 (2010).
  150. The spectroscopic stability of LiNH3 in the gas phase. Theory - M. Trenary, H. F. Schaefer, and P. Kollman, J. Amer. Chem. Soc. 99, 3885 (1977). Experiment - L. Virriale, N. Bhalla, N. M. Tonge, A. M. Ellis, and T. G. Wright, J. Chem. Phys. 134, 124304 (2011).
  151. The photoelectron spectra of the dihalomethyl anions CHCl2-, CHBr2 -, and CHI2 -. Theory – Q. S. Li, J. F. Zhao, Y. Xie, and H. F. Schaefer, Mol. Phys. 100, 3615 (2002). Experiment – K. M. Vogelhuber, S. W. Wren, A. B. McCoy, K. M. Ervin, and W. C. Lineberger, J. Chem. Phys. 134, 184306 (2011).
  152. The viability and trihapto h3 binding mode of tris (allyl) scandium. Theory – M. P. Pu, Q.-S. Li, Y. Xie. R. B. King, and H. F. Schaefer, J. Phys. Chem A 115, 4491 (2011). Experiment – S. Standfuss, E. Abinet, T. P. Spaniol, and J. Okuda, Chem. Comm. 47, 11441 (2011).
  153. The viability of the NNO analog NPO. Theory – R. D. Davy and H. F. Schaefer, J. Chem. Phys. 92, 5417 (1990). Experiment – X. Zeng, H. Beckers, and H. Willner, J. Amer. Chem. Soc. 133, 20696 (2011).
  154. The viability, structure, and vibrational features of the long-sought HOOOOH molecule. Theory – J. T. Fermann, B. C. Hoffman, G. S. Tschumper, and H. F. Schaefer, J. Chem. Phys. 106, 5102 (1997). Experiment – A. V. Levanov, D. V. Sakharov, A. V. Dashkova, E. E. Antipenko, and V. V. Lunin, Eur. J. Inorg. Chem. 5144 (2011).
  155. Structure and vibrational frequencies of the prospect interstellar molecule PCN. Theory – S. Wang, Y. Yamaguchi, and H. F. Schaefer, J. Theor. Comput. Chem. 5, 281 (2006). Experiment – D. T. Halten, M. Sun, D. J. Cloutier, and L. M. Ziurys, J. Chem. Phys. 136, 144312 (2012).
  156. Precise prediction of the dissociation energy (14.3 kcal/mole) of the formic acid dimer. Theory – Y.-T. Chang, Y. Yamaguchi, W. H. Miller, and H. F. Schaefer, J. Amer. Chem. Soc. 109, 7245 (1987). Experiment – F. Kollipost, R. W. Larsen, A. V. Domanskaya, M. Nörenberg, and M. A. Suhm, J. Chem. Phys. 136, 151101 (2012).
  157. New structures of B3H9 and B4H12. Theory – M. Shen, C. Liang, and H. F. Schaefer, Chem. Phys. 171, 325 (1993). Experiment – C. Murli and Y. Song, J. Phys. Chem. B 113, 13509 (2009); Y. Yao and R. Hoffmann, J. Amer. Chem. Soc. 133, 21002 (2012).
  158. Vibrational frequencies and trans global minimum of the hydrogen peroxide molecule. Theory- Y. Xie, W. D. Allen, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 104, 7615 (1996). Experimental – W. E. Thompson, C. L. Lugez, and M. E. Jacox. J. Chem. Phys. 137, 144305 (2012).
  159. 5∏ is the lowest lying quintet state of CO. Theory – S. V. O’Neil and H. F. Schaefer, J. Chem. Phys. 53, 3994 (1970). Experiment – R. Al-Tuwirqi, N. Al-Suliman, A. A. I. Khalil, and M. A. Gondal, Molecular Physics 110, 2951 (2012).
  160. Structure of the 2-Norbornyl Cation. Theory – K. Raghavachari, R. C. Haddon, P. R. Schleyer, and H. F. Schaefer, J. Amer. Chem. Soc. 105, 5915 (1983). Experiment – F. Scholz, D. Himmel, F. W. Heinemann, P. R. Schleyer, K. Meyer, and I. Krossing, Science 341, 62 (2013).
  161. Silagermylidene: Most favored of the R2SiGe Isomers. Theory – P. O’Leary, J. R. Thomas, H. F. Schaefer, B. J. Duke, and B. O’Leary, Int. J. Quantum Chem. Supplement 29, 593 (1995). Experiment – A. Jana, V. Huch, and D. Scheschkewitz, Angew. Chem. Int. Ed. 52, 12179 (2013).
  162. Identification of the higher energy terminal N-protonated structure of protonated N2O. Theory – J. E. Rice, T. J. Lee, and H. F. Schaefer, Chem. Phys. Lett. 130, 333 (1986). Experiment – M. C. McCarthy, O. Martinez, K. N. Crabtree, V. Lattanzi, S. E. Novick, and S. Thorwith, J. Phys. Chem. A 117, 9968 (2013).
  163. The barrier to internal rotation of benzaldehyde. Experiment – R. K. Kakar, E. A. Rinehart, C. R. Quade, and T. Kojima, J. Chem. Phys. 52, 3803 (1970). Theory – L. D. Speakman, B. N. Papas, H. L. Woodcock, and H. F. Schaefer, J. Chem. Phys. 120, 4247 (2004). Revision of experiment – I. A. Godunov, V. A. Bataev, A. V. Abramenkov, and V. I. Pupyshev, J. Phys. Chem. A 118, 10159 (2014).
  164. The entrance well and low barrier for the F + H2O ® HF + OH reaction. Theory – G. Li, L. Zhou, Q. S. Li, Y. Xie, and H. F. Schaefer, Phys. Chem. Chem. Phys. 14, 10891 (2012). Experiment – R. Otto, J. Ma, A. W. Ray, J. S. Daluz, J. Li, H. Guo, and R. E. Continetti, Science 343, 396 (2014).
  165. The valence bound uracil anion can be formed without the aid of dipole bound anion doorway states. Theory – J. Gu, Y. Xie, and H. F. Schaefer, J. Chem. Theory Comput. 10, 609 (2014). Experiment – S. B. King, M. A. Yandell, A. B. Stephansen, and D. M. Neumark, J. Chem. Phys. 141, 224310 (2014).
  166. Pt (IV) diazido complexes simultaneously release both azido radicals upon light activation. Theory – A. Y. Sokolov and H. F. Schaefer, Dalton Transactions 40, 7571 (2011). Experiment – X. D. Yang, H. J. Xiang, L. An, S. P. Yang, and J. G. Liu, New J. Chem. 39, 800 (2015).
  167. The viability of the all-cis 1, 2, 3, 4, 5, 6, -hexafluorocyclohexane. Theory – Q. Luo, K. R. Randall, and H. F. Schaefer, RSC Advances 3, 6572 (2013). Experiment – N. S. Keddie, A. M. Z. Slawin, T. Lebl, D. Philp, and D. O’Hagan, Nature Chemistry 7, 483 (2015).
  168. Triplet ethylenedione at last. Theory – G. P. Raine, H. F. Schaefer, and R. C. Haddon, J. Amer. Chem. Soc. 105, 194 (1983). Experiment – A. R. Dixon, T. Xue, and A. Sanov, Angew. Chem. Int. Ed. 54, 8764 (2015).
  169. Structure of iminosilylene from high resolution rotational spectroscopy. Theory – M. C. Lind, F. C. Pickard, J. B. Ingels, A. Paul, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 130, 104301 (2009). Experiment – M. C. McCarthy, F. Tamassia, and S. Thorwirth, John Maier Special Issue, Molecular Physics 113, 2204 (2015).
  170. At last, an experimental value for the barrier height for the HNC à HCN isomerization. Theory – P. K. Pearson and H. F. Schaefer, J. Chem. Phys. 62, 350 (1975). Experiment – J. H. Baraban, P. B. Changala, G. C. Mellau, J. F. Stanton, A. J. Mercer, and R. W. Field, Science 350, 1338 (2015).
  171. Synthesis of the arsenic analog of the cyanate anion NCO—. Theory – Y. Lu, H. Wang, Y. Xie, H. Liu, and H. F. Schaefer, Inorg. Chem. 53, 6252 (2014). Experiment – A. Hinz and J. M. Golcoechea, Angew. Chem. Int. Ed. 55, 8536 (2016).
  172. Identification of the long-sought disilavinylidene. Theory – B. T. Colegrove and H. F. Schaefer, J. Phys. Chem. 94, 5593 (1990). Experiment – T. Yang, B. D. Dangi, R. I. Kaiser, K. H. Chao, B. J. Sun, A. H. H. Chang, T. L. Nguyen, and J. F. Stanton, Angew. Chem. Int. Ed. 56, 1264 (2017).
  173. The CCCC torsional angle of gauche butadiene. Theory – I. L. Alberts and H. F. Schaefer, Chem. Phys. Lett. 161, 375 (1989). Experiment – J. H. Baraban, M.-A. Martin-Drumel, P. B. Changala, S. Eibenberger, M. Nava, D. Patterson, J. F. Stanton, G. B. Ellison, and M. C. McCarthy, Angew. Chem. Int. Ed. 57, 1821 (2018).
  174. The diborane-like structure of the ethane radical cation. Theory – H. M. Sulzbach, D. Graham, J. C. Stephens, and H. F. Schaefer, Acta Chimica Scandinavica, 51, 547 (1997). Experiment – U. Javocella, C. J. Stein, M. Grütter, L. Freitag, C. Lauzin, M. Reiher, and F. Merkt, Phys. Chem. Chem. Phys. 20, 1072 (2018).
  175. Rate of coefficients for the reaction of the prototypical Criegee intermediate with ammonia. Theory – J. P. Misiewicz, S. N. Elliott, K. B. Moore, and H. F. Schaefer, Phys. Chem. Chem. Phys. 20, 7479 (2018). Experiment – Y. Liu, C. Yin, M. Smith, S. Liu, M. Chen, X. Zhou, C. Yiao, D. Dai, J. J.-M. Lin, K. Takahashi, W. Dong, and X. Yang, Phys. Chem. Chem. Phys. 20, 29669 (2018).
  176. Infrared spectrum of monobridged Si2H4. Theory – L. Sari, M. C. McCarthy, H. F. Schaefer, and P. Thaddeus, J. Amer. Chem. Soc. 125, 11409 (2003). Experiment – S.-Y. Lin, S.-L. Chou, M.-Y. Lin, T.-P. Huang, and Y.-J. Wu, J. Chem. Phys. 152. 204308 (2020).
  177. The Viability of the 18-Electron Rule satisfying Ti(CO)7 molecule. Theory – Q. Luo, Q. S. Li, Z. H. Yu, Y. M. Xie, R. B. King, and H. F. Schaefer, J. Amer. Chem. Soc. 130, 7756 (2008). Experiment – G. Deng, S. Lei, S. Pan, J. Jin, G. Wang, L. Zhao, M. Zhou, and G. Frenking, Chem. Eur. J. 26, 10487 (2020).
  178. Methylgermylene lies well below the isoelectronic germene. Theory – R. S. Grev and H. F. Schaefer, Organometallics 11, 3489 (1992). Experiment – Z. Yang, C. He, S. Doddipatla, V. S. Krasnoukhov, V. N. Azyazov, A. M. Mebel, and R. I. Kaiser, ChemPhysChem 21, 1898 (2020).
  179. Laboratory preparation of monobridged H2SiHSi structure of Si2H3. Theory – L. Sari, M. C. McCarthy, H. F. Schaefer, and P. Thaddeus, J. Amer. Chem. Soc. 125, 11409 (2003). Experiment – Z. Yang, B.-J. Sun, C. He, S. Goettl, Y.-T. Lin, A. H. H. Chang, and R. I. Kaiser, J. Phys. Chem. A 125, 2472 (2021).
  180. Prediction of the monobridged equilibrium geometry of the Ge(µ-H)GeH molecule. Theory – Z. Palagy, H. F. Schaefer, and E. Kapuy, J. Amer. Chem. Soc. 115, 6901 (1993). Experiment – Z. H. Yang, B. J. Sun, C. He, S. Fatimah, A. H. H. Chang, and R. I. Kaiser, Chem. Eur. J. 28, e202103999 (2022).
  181. The lowest energy structure of H4O2+ is not the water dimer cation. Theory ­– Q. Cheng, F. A. Evangelista, A. C. Simmonett, Y. Yamaguchi, and H. F. Schaefer, J. Phys. Chem. A 113, 13779 (2009). Experiment – D. Xing, Y. Meng, X. Yuan, S. Jin, X. Song, R. N. Zare, and X. Zang, Angew, Chem. Int. Ed. 61, e202207587 (2022).
  182. Triplet Electronic States of Monovalent Antimony and Bismuth Structures. Theory – E. C. Mitchell, M. E. Wolf, J. M. Turney, and H. F. Schaefer, Chem. Eur. J. 27, 14461-14471 (2021). Experiment – (a) Stibinidene: M. Wu, H. Li, W. Chen, D. Wang, Y. He, L. Xu, S. Ye, and G. Tan, Chem (a Cell Press Journal) 9, 1-12 (2023); (b) Bismuthinidene: Y. Pang, N. Nöthling, M. Leutzsch, L. Kang, E. Bill, M. van Gastal, E. Reijerse, R. Goddard, L. Wagner, D. Santa Lucia, S. DeBeer, F. Neese, and J. Cornella, Science 380, 1043-1048 (2023).
  183. Prediction of the existence of diberyllocine, Be2(C5H5)2. Theory – Y. Xie, H. F. Schaefer, and E. D. Jemmis, Chem. Phys. Lett. 402, 414-421 (2005). Experiment – J. T. Boronski, A. E. Crumpton, L. L. Wales, and S. Aldridge, Science 380, 1147-1149 (2023).

1/5/24/egs