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Journal of Molecular Structure: THEOCHEM

Volumn 398-399, Issue , 1997, Pages 199-209

The reachable dream: Some steps toward the realization of molecular quantum mechanics by computer

(1) Schaefer III, Henry F a

a UNIVERSITY OF GEORGIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0009627980 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(96)05003-8 Document Type: Article

Times cited : (6)

References (221)

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38
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39
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40
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- Rothenberg, S.¹ Schaefer, H.F.²

41
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- Pochan, J.M.¹ Stone, R.G.² Flygare, W.H.³

42
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- Mack, K.M.¹ Muenter, J.S.²

43
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- (1975) J. Chem. Phys. , vol.62 , pp. 3488
- Siegbahn, P.¹ Schaefer, H.F.²

44
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- Wu, C.H.¹ Ihle, H.R.²

45
- 30244554397
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- (1975) J. Chem. Phys. , vol.62 , pp. 1189
- Bender, C.F.¹ Garrison, B.J.² Schaefer, H.F.³

46
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- (1978) J. Chem. Phys. , vol.69 , pp. 933
- Bartoszek, F.E.¹ Manos, D.M.² Polanyi, J.C.³

47
- 85022693409
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- (1977) J. Am. Chem. Soc. , vol.99 , pp. 3885
- Trenary, M.¹ Schaefer, H.F.² Kollman, P.³

48
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- (1978) J. Am. Chem. Soc , vol.100 , pp. 2108
- Meier, P.F.¹ Hauge, R.H.² Margrave, J.L.³

49
- 5844338311
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- (1973) Astrophys. J. , vol.189
- Pearson, P.K.¹ Blackman, G.L.² Schaefer, H.F.³ Roos, B.⁴ Wahlgren, U.⁵

50
- 0001564514
- Theory: P.K. Pearson, G.L. Blackman, H.F. Schaefer, B. Roos, U. Wahlgren, Astrophys. J. 189 (1973) L19. Experiment: R.A. Creswell, A.G. Robiette, Mol. Phys. 36 (1978) 869.
- (1978) Mol. Phys. , vol.36 , pp. 869
- Creswell, R.A.¹ Robiette, A.G.²

51
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- (1978) J. Chem. Phys. , vol.69 , pp. 1648
- Wetmore, R.W.¹ Schaefer, H.F.²

52
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- In addition to assisting 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 the author
- Theory: R.W. Wetmore, H.F. Schaefer, J. Chem. Phys. 69 (1978) 1648. Experiment: H.R. Wendt, H. Hippler, H.E. Hunziker, J. Chem. Phys. 70 (1979) 4044. In addition to assisting 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 the author.
- (1979) J. Chem. Phys. , vol.70 , pp. 4044
- Wendt, H.R.¹ Hippler, H.² Hunziker, H.E.³

53
- 0011622173
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- (1975) J. Am. Chem. Soc. , vol.97 , pp. 2321
- Dykstra, C.E.¹ Pearson, P.K.² Schaefer, H.F.³

54
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- (1980) J. Mol. Struct. , vol.60 , pp. 293
- Froben, F.W.¹

55
- 0011398533
- Theory: W.C. Swope, Y.-P. Lee, H.F. Schaefer, J. Chem. Phys. 70 (1979) 947. Experiment: V.E. Bondybey, J.H. English, J. Chem. Phys. 72 (1980) 3113.
- (1979) J. Chem. Phys. , vol.70 , pp. 947
- Swope, W.C.¹ Lee, Y.-P.² Schaefer, H.F.³

56
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- (1980) J. Chem. Phys. , vol.72 , pp. 3113
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57
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- (1978) Nature , vol.274 , pp. 456
- Conrad, M.P.¹ Schaefer, H.F.²

58
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- Theory: M.P. Conrad, H.F. Schaefer, Nature (London) 274 (1978) 456; T.L. Allen, J.D. Goddard, H.F. Schaefer, J. Chem. Phys 73 (1980) 3255. Experiment: R.D. Brown, E. Rice, Philos. Trans. R. Soc. London, Ser. A 303 (1981) 523.
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59
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- Theory: M.P. Conrad, H.F. Schaefer, Nature (London) 274 (1978) 456; T.L. Allen, J.D. Goddard, H.F. Schaefer, J. Chem. Phys 73 (1980) 3255. Experiment: R.D. Brown, E. Rice, Philos. Trans. R. Soc. London, Ser. A 303 (1981) 523.
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60
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61
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- (1981) J. Chem. Phys. , vol.75 , pp. 4256
- Woods, R.C.¹ Saykally, R.J.² Anderson, T.G.³ Dixon, T.A.⁴ Szanto, P.G.⁵

62
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- (1980) Nouv. J. Chim. , vol.4 , pp. 411
- Radom, L.¹ Schaefer, H.F.² Vincent, M.A.³

63
- 0000154794
- Theory: L. Radom, H.F. Schaefer, M.A. Vincent, Nouv. J. Chim. 4 (1980) 411. Experiment: W.M. Jones, C.L. Ennis, J. Am. Chem. Soc. 91 (1969) 6391 ; revision of experiment by P.R. West, O.L. Chapman, J.-P. Le Roux, J. Am. Chem. Soc. 104 (1982) 1779.
- (1969) J. Am. Chem. Soc. , vol.91 , pp. 6391
- Jones, W.M.¹ Ennis, C.L.²

64
- 0000041205
- Theory: L. Radom, H.F. Schaefer, M.A. Vincent, Nouv. J. Chim. 4 (1980) 411. Experiment: W.M. Jones, C.L. Ennis, J. Am. Chem. Soc. 91 (1969) 6391 ; revision of experiment by P.R. West, O.L. Chapman, J.-P. Le Roux, J. Am. Chem. Soc. 104 (1982) 1779.
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 1779
- West, P.R.¹ Chapman, O.L.² Le Roux, J.-P.³

65
- 33847804230
- Theory: D.R. Yarkony, H.F. Schaefer, J. Am. Chem. Soc. 96 (1974) 3754. Experiment: P. Dowd, M. Chow, J. Am. Chem. Soc. 99 (1977) 6438; M.S. Platz, J.A. Berson, J. Am. Chem. Soc. 99 (1977) 5178; revision of experiment by M.R. Mazur, J.A. Berson, J. Am. Chem. Soc. 104 (1982) 2217: P.G. Wenthold, J. Hu, R.R. Squires, W.C. Lineberger, J. Am. Chem. Soc. 118 (1996) 475.
- (1974) J. Am. Chem. Soc. , vol.96 , pp. 3754
- Yarkony, D.R.¹ Schaefer, H.F.²

66
- 0009236182
- Theory: D.R. Yarkony, H.F. Schaefer, J. Am. Chem. Soc. 96 (1974) 3754. Experiment: P. Dowd, M. Chow, J. Am. Chem. Soc. 99 (1977) 6438; M.S. Platz, J.A. Berson, J. Am. Chem. Soc. 99 (1977) 5178; revision of experiment by M.R. Mazur, J.A. Berson, J. Am. Chem. Soc. 104 (1982) 2217: P.G. Wenthold, J. Hu, R.R. Squires, W.C. Lineberger, J. Am. Chem. Soc. 118 (1996) 475.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 6438
- Dowd, P.¹ Chow, M.²

67
- 0041194226
- Theory: D.R. Yarkony, H.F. Schaefer, J. Am. Chem. Soc. 96 (1974) 3754. Experiment: P. Dowd, M. Chow, J. Am. Chem. Soc. 99 (1977) 6438; M.S. Platz, J.A. Berson, J. Am. Chem. Soc. 99 (1977) 5178; revision of experiment by M.R. Mazur, J.A. Berson, J. Am. Chem. Soc. 104 (1982) 2217: P.G. Wenthold, J. Hu, R.R. Squires, W.C. Lineberger, J. Am. Chem. Soc. 118 (1996) 475.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 5178
- Platz, M.S.¹ Berson, J.A.²

68
- 0010979112
- Theory: D.R. Yarkony, H.F. Schaefer, J. Am. Chem. Soc. 96 (1974) 3754. Experiment: P. Dowd, M. Chow, J. Am. Chem. Soc. 99 (1977) 6438; M.S. Platz, J.A. Berson, J. Am. Chem. Soc. 99 (1977) 5178; revision of experiment by M.R. Mazur, J.A. Berson, J. Am. Chem. Soc. 104 (1982) 2217: P.G. Wenthold, J. Hu, R.R. Squires, W.C. Lineberger, J. Am. Chem. Soc. 118 (1996) 475.
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 2217
- Mazur, M.R.¹ Berson, J.A.²

69
- 0000502494
- Theory: D.R. Yarkony, H.F. Schaefer, J. Am. Chem. Soc. 96 (1974) 3754. Experiment: P. Dowd, M. Chow, J. Am. Chem. Soc. 99 (1977) 6438; M.S. Platz, J.A. Berson, J. Am. Chem. Soc. 99 (1977) 5178; revision of experiment by M.R. Mazur, J.A. Berson, J. Am. Chem. Soc. 104 (1982) 2217: P.G. Wenthold, J. Hu, R.R. Squires, W.C. Lineberger, J. Am. Chem. Soc. 118 (1996) 475.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 475
- Wenthold, P.G.¹ Hu, J.² Squires, R.R.³ Lineberger, W.C.⁴

70
- 0011528618
- Theory: R.R. Lucchese, H.F. Schaefer, J. Am. Chem. Soc. 100 (1978) 298. Experiment: C.F. Pau, W.J. Hehre, J. Phys. Chem. 86 (1982) 1252.
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 298
- Lucchese, R.R.¹ Schaefer, H.F.²

71
- 0342932090
- Theory: R.R. Lucchese, H.F. Schaefer, J. Am. Chem. Soc. 100 (1978) 298. Experiment: C.F. Pau, W.J. Hehre, J. Phys. Chem. 86 (1982) 1252.
- (1982) J. Phys. Chem. , vol.86 , pp. 1252
- Pau, C.F.¹ Hehre, W.J.²

72
- 0042691254
- Theory: C.F. Bender, H.F. Schaefer, D.R. Franceschetti, L.C. Allen, J. Am. Chem. Soc. 94 (1972) 6888. Experiment: P.F. Zittel, G.B. Ellison, S.V. ONeil, E. Herbst, W.C. Lineberger, W.P. Reinhardt, J. Am. Chem. Soc. 98 (1976) 3731; revision of experiment by C.C. Hayden, D.M. Neumark, K. Shobatake, R.K. Sparks, Y.T. Lee, J. Chem. Phys. 76 (1982) 3607.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 6888
- Bender, C.F.¹ Schaefer, H.F.² Franceschetti, D.R.³ Allen, L.C.⁴

73
- 0000072270
- Theory: C.F. Bender, H.F. Schaefer, D.R. Franceschetti, L.C. Allen, J. Am. Chem. Soc. 94 (1972) 6888. Experiment: P.F. Zittel, G.B. Ellison, S.V. ONeil, E. Herbst, W.C. Lineberger, W.P. Reinhardt, J. Am. Chem. Soc. 98 (1976) 3731; revision of experiment by C.C. Hayden, D.M. Neumark, K. Shobatake, R.K. Sparks, Y.T. Lee, J. Chem. Phys. 76 (1982) 3607.
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 3731
- Zittel, P.F.¹ Ellison, G.B.² ONeil, S.V.³ Herbst, E.⁴ Lineberger, W.C.⁵ Reinhardt, W.P.⁶

74
- 0001548893
- Theory: C.F. Bender, H.F. Schaefer, D.R. Franceschetti, L.C. Allen, J. Am. Chem. Soc. 94 (1972) 6888. Experiment: P.F. Zittel, G.B. Ellison, S.V. ONeil, E. Herbst, W.C. Lineberger, W.P. Reinhardt, J. Am. Chem. Soc. 98 (1976) 3731; revision of experiment by C.C. Hayden, D.M. Neumark, K. Shobatake, R.K. Sparks, Y.T. Lee, J. Chem. Phys. 76 (1982) 3607.
- (1982) J. Chem. Phys. , vol.76 , pp. 3607
- Hayden, C.C.¹ Neumark, D.M.² Shobatake, K.³ Sparks, R.K.⁴ Lee, Y.T.⁵

75
- 0039487296
- Theory: D.H. Liskow, H.F. Schaefer, J. Am. Chem. Soc. 94 (1972) 6641. Experiment: R.L. Shoemaker, W.H. Flygane, J. Am. Chem. Soc. 94 (1972) 684; revision of experiment by W.L. Meerts, I. Ozier, J. Mol. Spectrosc. 94 (1982) 38.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 6641
- Liskow, D.H.¹ Schaefer, H.F.²

76
- 30244488379
- Theory: D.H. Liskow, H.F. Schaefer, J. Am. Chem. Soc. 94 (1972) 6641. Experiment: R.L. Shoemaker, W.H. Flygane, J. Am. Chem. Soc. 94 (1972) 684; revision of experiment by W.L. Meerts, I. Ozier, J. Mol. Spectrosc. 94 (1982) 38.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 684
- Shoemaker, R.L.¹ Flygane, W.H.²

77
- 22944485783
- Theory: D.H. Liskow, H.F. Schaefer, J. Am. Chem. Soc. 94 (1972) 6641. Experiment: R.L. Shoemaker, W.H. Flygane, J. Am. Chem. Soc. 94 (1972) 684; revision of experiment by W.L. Meerts, I. Ozier, J. Mol. Spectrosc. 94 (1982) 38.
- (1982) J. Mol. Spectrosc. , vol.94 , pp. 38
- Meerts, W.L.¹ Ozier, I.²

78
- 30244502862
- Theory: T.G. Heil, H.F. Schaefer, J. Chem. Phys. 54 (1971) 2573. Experiment: Y. Ozaki, H. Ito, K. Suzuki, T. Kondow, K. Kuchitsu, Chem. Phys. 80 (1983) 85.
- (1971) J. Chem. Phys. , vol.54 , pp. 2573
- Heil, T.G.¹ Schaefer, H.F.²

79
- 0002826569
- Theory: T.G. Heil, H.F. Schaefer, J. Chem. Phys. 54 (1971) 2573. Experiment: Y. Ozaki, H. Ito, K. Suzuki, T. Kondow, K. Kuchitsu, Chem. Phys. 80 (1983) 85.
- (1983) Chem. Phys. , vol.80 , pp. 85
- Ozaki, Y.¹ Ito, H.² Suzuki, K.³ Kondow, T.⁴ Kuchitsu, K.⁵

80
- 0000358275
- Theory: M.H. Colvin, G.P. Raine, H.F. Schaefer, M. Dupuis, J. Chem. Phys. 79 (1983) 1551. Experiment: M.H. Begemann, C.S. Gudeman, J. Pfaff, R.J. Saykally, Phys. Rev. Lett. 51 (1983) 554.
- (1983) J. Chem. Phys. , vol.79 , pp. 1551
- Colvin, M.H.¹ Raine, G.P.² Schaefer, H.F.³ Dupuis, M.⁴

81
- 0001109450
- Theory: M.H. Colvin, G.P. Raine, H.F. Schaefer, M. Dupuis, J. Chem. Phys. 79 (1983) 1551. Experiment: M.H. Begemann, C.S. Gudeman, J. Pfaff, R.J. Saykally, Phys. Rev. Lett. 51 (1983) 554.
- (1983) Phys. Rev. Lett. , vol.51 , pp. 554
- Begemann, M.H.¹ Gudeman, C.S.² Pfaff, J.³ Saykally, R.J.⁴

82
- 0347857126
- Theory: Y. Yoshioka, H.F. Schaefer, J. Am. Chem. Soc. 103 (1981) 7366. Experiment: T.J. Drahnak, J. Michl, R. West, J. Am. Chem. Soc. 103 (1981) 1845; revision of experiment by C.A. Arrington, R. West, J. Michl, J. Am. Chem. Soc. 105 (1983) 6176.
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 7366
- Yoshioka, Y.¹ Schaefer, H.F.²

83
- 0000731234
- Theory: Y. Yoshioka, H.F. Schaefer, J. Am. Chem. Soc. 103 (1981) 7366. Experiment: T.J. Drahnak, J. Michl, R. West, J. Am. Chem. Soc. 103 (1981) 1845; revision of experiment by C.A. Arrington, R. West, J. Michl, J. Am. Chem. Soc. 105 (1983) 6176.
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 1845
- Drahnak, T.J.¹ Michl, J.² West, R.³

84
- 0011402028
- Theory: Y. Yoshioka, H.F. Schaefer, J. Am. Chem. Soc. 103 (1981) 7366. Experiment: T.J. Drahnak, J. Michl, R. West, J. Am. Chem. Soc. 103 (1981) 1845; revision of experiment by C.A. Arrington, R. West, J. Michl, J. Am. Chem. Soc. 105 (1983) 6176.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 6176
- Arrington, C.A.¹ West, R.² Michl, J.³

85
- 0000783819
- Theory: Y. Osamura, H.F. Schaefer, M. Dupuis, W.A. Lester, J. Chem. Phys. 75 (1981) 5828. Experiment: C.S. Parmenter, J. Chem. Phys. 41 (1964) 658; revision of experiment by J.W. Hepburn, R.J. Buss, L.J. Butler, Y.T. Lee, J. Phys. Chem. 87 (1983) 3638.
- (1981) J. Chem. Phys. , vol.75 , pp. 5828
- Osamura, Y.¹ Schaefer, H.F.² Dupuis, M.³ Lester, W.A.⁴

86
- 0001719169
- Theory: Y. Osamura, H.F. Schaefer, M. Dupuis, W.A. Lester, J. Chem. Phys. 75 (1981) 5828. Experiment: C.S. Parmenter, J. Chem. Phys. 41 (1964) 658; revision of experiment by J.W. Hepburn, R.J. Buss, L.J. Butler, Y.T. Lee, J. Phys. Chem. 87 (1983) 3638.
- (1964) J. Chem. Phys. , vol.41 , pp. 658
- Parmenter, C.S.¹

87
- 0344221800
- Theory: Y. Osamura, H.F. Schaefer, M. Dupuis, W.A. Lester, J. Chem. Phys. 75 (1981) 5828. Experiment: C.S. Parmenter, J. Chem. Phys. 41 (1964) 658; revision of experiment by J.W. Hepburn, R.J. Buss, L.J. Butler, Y.T. Lee, J. Phys. Chem. 87 (1983) 3638.
- (1983) J. Phys. Chem. , vol.87 , pp. 3638
- Hepburn, J.W.¹ Buss, R.J.² Butler, L.J.³ Lee, Y.T.⁴

88
- 36849104681
- references cited therein
- Theory: C.F. Bender, H.F. Schaefer, J. Chem. Phys. 57 (1972) 217, references cited therein. Experiment: S.H. Bauer, E. Ossa, J. Chem. Phys. 45 (1966) 434; revision of experiment by A. Lifshitz, M. Bidani, H.F. Carroll, J. Chem. Phys. 79 (1983) 2742.
- (1972) J. Chem. Phys. , vol.57 , pp. 217
- Bender, C.F.¹ Schaefer, H.F.²

89
- 0042000901
- Theory: C.F. Bender, H.F. Schaefer, J. Chem. Phys. 57 (1972) 217, references cited therein. Experiment: S.H. Bauer, E. Ossa, J. Chem. Phys. 45 (1966) 434; revision of experiment by A. Lifshitz, M. Bidani, H.F. Carroll, J. Chem. Phys. 79 (1983) 2742.
- (1966) J. Chem. Phys. , vol.45 , pp. 434
- Bauer, S.H.¹ Ossa, E.²

90
- 0001178148
- Theory: C.F. Bender, H.F. Schaefer, J. Chem. Phys. 57 (1972) 217, references cited therein. Experiment: S.H. Bauer, E. Ossa, J. Chem. Phys. 45 (1966) 434; revision of experiment by A. Lifshitz, M. Bidani, H.F. Carroll, J. Chem. Phys. 79 (1983) 2742.
- (1983) J. Chem. Phys. , vol.79 , pp. 2742
- Lifshitz, A.¹ Bidani, M.² Carroll, H.F.³

91
- 0001158637
- Theory: Y. Yamaguchi, H.F. Schaefer, J. Chem. Phys. 73 (1980) 2310. Experiment: M.W. Crofton, T. Oka, J. Chem. Phys. 79 (1983) 3157; E. Schafer, M.H. Begemann, C.S. Gudeman, R.J. Saykally, J. Chem. Phys. 79 (1983) 3159.
- (1980) J. Chem. Phys. , vol.73 , pp. 2310
- Yamaguchi, Y.¹ Schaefer, H.F.²

92
- 0001098455
- Theory: Y. Yamaguchi, H.F. Schaefer, J. Chem. Phys. 73 (1980) 2310. Experiment: M.W. Crofton, T. Oka, J. Chem. Phys. 79 (1983) 3157; E. Schafer, M.H. Begemann, C.S. Gudeman, R.J. Saykally, J. Chem. Phys. 79 (1983) 3159.
- (1983) J. Chem. Phys. , vol.79 , pp. 3157
- Crofton, M.W.¹ Oka, T.²

93
- 0001094088
- Theory: Y. Yamaguchi, H.F. Schaefer, J. Chem. Phys. 73 (1980) 2310. Experiment: M.W. Crofton, T. Oka, J. Chem. Phys. 79 (1983) 3157; E. Schafer, M.H. Begemann, C.S. Gudeman, R.J. Saykally, J. Chem. Phys. 79 (1983) 3159.
- (1983) J. Chem. Phys. , vol.79 , pp. 3159
- Schafer, E.¹ Begemann, M.H.² Gudeman, C.S.³ Saykally, R.J.⁴

94
- 36749111816
- Theory: G.M. Schwenzer, S.V. O'Neil, H.F. Schaefer, C.P. Baskin, C.F. Bender, J. Chem. Phys. 60 (1974) 2787. Experiment: G. Herzberg, K.K. Innes, Can. J. Phys. 35 (1957) 842; revision of experiment by G.A. Bickel, K.K. Innes, Can. J. Phys. 62 (1984) 1763.
- (1974) J. Chem. Phys. , vol.60 , pp. 2787
- Schwenzer, G.M.¹ O'Neil, S.V.² Schaefer, H.F.³ Baskin, C.P.⁴ Bender, C.F.⁵

95
- 0000735686
- Theory: G.M. Schwenzer, S.V. O'Neil, H.F. Schaefer, C.P. Baskin, C.F. Bender, J. Chem. Phys. 60 (1974) 2787. Experiment: G. Herzberg, K.K. Innes, Can. J. Phys. 35 (1957) 842; revision of experiment by G.A. Bickel, K.K. Innes, Can. J. Phys. 62 (1984) 1763.
- (1957) Can. J. Phys. , vol.35 , pp. 842
- Herzberg, G.¹ Innes, K.K.²

96
- 0021588056
- Theory: G.M. Schwenzer, S.V. O'Neil, H.F. Schaefer, C.P. Baskin, C.F. Bender, J. Chem. Phys. 60 (1974) 2787. Experiment: G. Herzberg, K.K. Innes, Can. J. Phys. 35 (1957) 842; revision of experiment by G.A. Bickel, K.K. Innes, Can. J. Phys. 62 (1984) 1763.
- (1984) Can. J. Phys. , vol.62 , pp. 1763
- Bickel, G.A.¹ Innes, K.K.²

97
- 33847087215
- Theory: J.D. Goddard, Y. Yoshioka. H.F. Schaefer, J. Am. Chem. Soc. 102 (1980) 7644. Experiment: C.F. Pau, W.J. Pietro, W.J. Hehre, J. Am. Chem. Soc. 105 (1983) 16; revision of experiment by G. Maier, G. Mihm, H.P. Reisenauer, Chem. Ber. 117 (1984) 2351, 2369.
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 7644
- Goddard, J.D.¹ Yoshioka, Y.² Schaefer, H.F.³

98
- 0039331283
- Theory: J.D. Goddard, Y. Yoshioka. H.F. Schaefer, J. Am. Chem. Soc. 102 (1980) 7644. Experiment: C.F. Pau, W.J. Pietro, W.J. Hehre, J. Am. Chem. Soc. 105 (1983) 16; revision of experiment by G. Maier, G. Mihm, H.P. Reisenauer, Chem. Ber. 117 (1984) 2351, 2369.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 16
- Pau, C.F.¹ Pietro, W.J.² Hehre, W.J.³

99
- 0001032683
- Theory: J.D. Goddard, Y. Yoshioka. H.F. Schaefer, J. Am. Chem. Soc. 102 (1980) 7644. Experiment: C.F. Pau, W.J. Pietro, W.J. Hehre, J. Am. Chem. Soc. 105 (1983) 16; revision of experiment by G. Maier, G. Mihm, H.P. Reisenauer, Chem. Ber. 117 (1984) 2351, 2369.
- (1984) Chem. Ber. , vol.117 , pp. 2351
- Maier, G.¹ Mihm, G.² Reisenauer, H.P.³

100
- 0003252480
- Theory: T.J. Lee, A. Bunge, H.F. Schaefer, J. Am. Chem. Soc. 107 (1985) 137. Experiment: H.P. Reisenauer, G. Maier, A. Riemann, R.W. Hoffmann, Agnew. Chem., Int. Ed. Engl. 23 (1984) 641.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 137
- Lee, T.J.¹ Bunge, A.² Schaefer, H.F.³

101
- 84985520690
- Theory: T.J. Lee, A. Bunge, H.F. Schaefer, J. Am. Chem. Soc. 107 (1985) 137. Experiment: H.P. Reisenauer, G. Maier, A. Riemann, R.W. Hoffmann, Agnew. Chem., Int. Ed. Engl. 23 (1984) 641.
- (1984) Agnew. Chem., Int. Ed. Engl. , vol.23 , pp. 641
- Reisenauer, H.P.¹ Maier, G.² Riemann, A.³ Hoffmann, R.W.⁴

102
- 0342400433
- Theory: R.S. Grev, H.F. Schaefer, J. Chem. Phys. 80 (1984) 3552. Experiment: D.L. Michalepoulos, M.E. Geusic. P.R.R. Langridge-Smith, R.E. Smalley, J. Chem. Phys. 80 (1984) 3556.
- (1984) J. Chem. Phys. , vol.80 , pp. 3552
- Grev, R.S.¹ Schaefer, H.F.²

103
- 33646912362
- Theory: R.S. Grev, H.F. Schaefer, J. Chem. Phys. 80 (1984) 3552. Experiment: D.L. Michalepoulos, M.E. Geusic. P.R.R. Langridge-Smith, R.E. Smalley, J. Chem. Phys. 80 (1984) 3556.
- (1984) J. Chem. Phys. , vol.80 , pp. 3556
- Michalepoulos, D.L.¹ Geusic, M.E.² Langridge-Smith, P.R.R.³ Smalley, R.E.⁴

104
- 33847087296
- Theory: J. Demuynck, D.J. Fox, Y. Yamaguchi, H.F. Schaefer, J. Am. Chem. Soc. 102 (1980) 6204. Experiment: P.G. Carrick, P.C. Engelking, J. Chem. Phys. 81 (1984) 1661.
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 6204
- Demuynck, J.¹ Fox, D.J.² Yamaguchi, Y.³ Schaefer, H.F.⁴

105
- 0000061441
- Theory: J. Demuynck, D.J. Fox, Y. Yamaguchi, H.F. Schaefer, J. Am. Chem. Soc. 102 (1980) 6204. Experiment: P.G. Carrick, P.C. Engelking, J. Chem. Phys. 81 (1984) 1661.
- (1984) J. Chem. Phys. , vol.81 , pp. 1661
- Carrick, P.G.¹ Engelking, P.C.²

106
- 36549098024
- Theory: T.J. Lee, H.F. Schaefer, J. Chem. Phys. 80 (1984) 2977. Experiment: R.S. Altman, M.W. Crofton, T. Oka, J. Chem. Phys. 81 (1984) 4255.
- (1984) J. Chem. Phys. , vol.80 , pp. 2977
- Lee, T.J.¹ Schaefer, H.F.²

107
- 0010427714
- Theory: T.J. Lee, H.F. Schaefer, J. Chem. Phys. 80 (1984) 2977. Experiment: R.S. Altman, M.W. Crofton, T. Oka, J. Chem. Phys. 81 (1984) 4255.
- (1984) J. Chem. Phys. , vol.81 , pp. 4255
- Altman, R.S.¹ Crofton, M.W.² Oka, T.³

108
- 30244567220
- Theory: T.J. Lee, H.F. Schaefer, J. Chem. Phys. 83 (1985) 703. Experiment: L.M. Tack, N.H. Rosenbaum, J.C. Owrutsky, R.J. Saykally, J. Chem. Phys., 85 (1986) 4222; K.M. Ervin, W.C. Lineberger, J. Phys. Chem., 95 (1991) 1167.
- (1985) J. Chem. Phys. , vol.83 , pp. 703
- Lee, T.J.¹ Schaefer, H.F.²

109
- 0005454338
- Theory: T.J. Lee, H.F. Schaefer, J. Chem. Phys. 83 (1985) 703. Experiment: L.M. Tack, N.H. Rosenbaum, J.C. Owrutsky, R.J. Saykally, J. Chem. Phys., 85 (1986) 4222; K.M. Ervin, W.C. Lineberger, J. Phys. Chem., 95 (1991) 1167.
- (1986) J. Chem. Phys. , vol.85 , pp. 4222
- Tack, L.M.¹ Rosenbaum, N.H.² Owrutsky, J.C.³ Saykally, R.J.⁴

110
- 0038931968
- Theory: T.J. Lee, H.F. Schaefer, J. Chem. Phys. 83 (1985) 703. Experiment: L.M. Tack, N.H. Rosenbaum, J.C. Owrutsky, R.J. Saykally, J. Chem. Phys., 85 (1986) 4222; K.M. Ervin, W.C. Lineberger, J. Phys. Chem., 95 (1991) 1167.
- (1991) J. Phys. Chem. , vol.95 , pp. 1167
- Ervin, K.M.¹ Lineberger, W.C.²

111
- 0001449981
- Theory: M.J. Frisch, H.F. Schaefer, J.S. Binkley, J. Phys. Chem. 89 (1985) 2192. Experiment: T. Amano, K. Tanaka, J. Chem. Phys. 83 (1985) 3721.
- (1985) J. Phys. Chem. , vol.89 , pp. 2192
- Frisch, M.J.¹ Schaefer, H.F.² Binkley, J.S.³

112
- 0040520635
- Theory: M.J. Frisch, H.F. Schaefer, J.S. Binkley, J. Phys. Chem. 89 (1985) 2192. Experiment: T. Amano, K. Tanaka, J. Chem. Phys. 83 (1985) 3721.
- (1985) J. Chem. Phys. , vol.83 , pp. 3721
- Amano, T.¹ Tanaka, K.²

113
- 0004488414
- Theory: J.E. Rice, T.J. Lee, H.F. Schaefer, Chem. Phys. Lett. 130 (1986) 333. Experiment: T. Amano, Chem. Phys. Lett. 127 (1986) 101. Note that in this case the contribution of theory was to overturn the earlier experimental conclusion (T.B. McMahon, P. Kebarle, J. Chem. Phys. 83 (1985) 3919) that NNO is nitrogen protonated.
- (1986) Chem. Phys. Lett. , vol.130 , pp. 333
- Rice, J.E.¹ Lee, T.J.² Schaefer, H.F.³

114
- 0004510264
- Theory: J.E. Rice, T.J. Lee, H.F. Schaefer, Chem. Phys. Lett. 130 (1986) 333. Experiment: T. Amano, Chem. Phys. Lett. 127 (1986) 101. Note that in this case the contribution of theory was to overturn the earlier experimental conclusion (T.B. McMahon, P. Kebarle, J. Chem. Phys. 83 (1985) 3919) that NNO is nitrogen protonated.
- (1986) Chem. Phys. Lett. , vol.127 , pp. 101
- Amano, T.¹

115
- 0039413386
- that NNO is nitrogen protonated
- Theory: J.E. Rice, T.J. Lee, H.F. Schaefer, Chem. Phys. Lett. 130 (1986) 333. Experiment: T. Amano, Chem. Phys. Lett. 127 (1986) 101. Note that in this case the contribution of theory was to overturn the earlier experimental conclusion (T.B. McMahon, P. Kebarle, J. Chem. Phys. 83 (1985) 3919) that NNO is nitrogen protonated.
- (1985) J. Chem. Phys. , vol.83 , pp. 3919
- McMahon, T.B.¹ Kebarle, P.²

116
- 85044563821
- Theory: T.J. Lee, J.E. Rice, H.F. Schaefer, J. Chem. Phys. 86 (1987) 3051. Experiment: M.W. Crofton, M.-F. Jagon, B.D. Rehfuss, T. Oka, J. Chem. Phys. 86 (1987) 3755.
- (1987) J. Chem. Phys. , vol.86 , pp. 3051
- Lee, T.J.¹ Rice, J.E.² Schaefer, H.F.³

117
- 0001652180
- Theory: T.J. Lee, J.E. Rice, H.F. Schaefer, J. Chem. Phys. 86 (1987) 3051. Experiment: M.W. Crofton, M.-F. Jagon, B.D. Rehfuss, T. Oka, J. Chem. Phys. 86 (1987) 3755.
- (1987) J. Chem. Phys. , vol.86 , pp. 3755
- Crofton, M.W.¹ Jagon, M.-F.² Rehfuss, B.D.³ Oka, T.⁴

118
- 0000581073
- Theory: C.L. Janssen, W.D. Allen, H.F. Schaefer, J.M. Bowman, Chem. Phys. Lett. 131 (1986) 352. Experiment: K. Kawaguchi, E. Hirota, J. Chem. Phys. 84 (1986) 2953; revision of experiment by K. Kawaguchi, E. Hirota, J. Chem. Phys. 87 (1987) 6838.
- (1986) Chem. Phys. Lett. , vol.131 , pp. 352
- Janssen, C.L.¹ Allen, W.D.² Schaefer, H.F.³ Bowman, J.M.⁴

119
- 0000909994
- Theory: C.L. Janssen, W.D. Allen, H.F. Schaefer, J.M. Bowman, Chem. Phys. Lett. 131 (1986) 352. Experiment: K. Kawaguchi, E. Hirota, J. Chem. Phys. 84 (1986) 2953; revision of experiment by K. Kawaguchi, E. Hirota, J. Chem. Phys. 87 (1987) 6838.
- (1986) J. Chem. Phys. , vol.84 , pp. 2953
- Kawaguchi, K.¹ Hirota, E.²

120
- 0001085551
- Theory: C.L. Janssen, W.D. Allen, H.F. Schaefer, J.M. Bowman, Chem. Phys. Lett. 131 (1986) 352. Experiment: K. Kawaguchi, E. Hirota, J. Chem. Phys. 84 (1986) 2953; revision of experiment by K. Kawaguchi, E. Hirota, J. Chem. Phys. 87 (1987) 6838.
- (1987) J. Chem. Phys. , vol.87 , pp. 6838
- Kawaguchi, K.¹ Hirota, E.²

121
- 0001688635
- Theory: A.C. Scheiner, G.E. Scuseria, H.F. Schaefer, J. Am. Chem. Soc. 108 (1986) 8160. Experiment: J.H. Glownia, S.J. Riley, Chem. Phys. Lett. 71 (1980) 429; revision of experiment by X. Zhao, W.B. Miller, E.J. Hintsa, Y.T. Lee, J. Chem. Phys. 90 (1989) 5527.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 8160
- Scheiner, A.C.¹ Scuseria, G.E.² Schaefer, H.F.³

122
- 0346135760
- Theory: A.C. Scheiner, G.E. Scuseria, H.F. Schaefer, J. Am. Chem. Soc. 108 (1986) 8160. Experiment: J.H. Glownia, S.J. Riley, Chem. Phys. Lett. 71 (1980) 429; revision of experiment by X. Zhao, W.B. Miller, E.J. Hintsa, Y.T. Lee, J. Chem. Phys. 90 (1989) 5527.
- (1980) Chem. Phys. Lett. , vol.71 , pp. 429
- Glownia, J.H.¹ Riley, S.J.²

123
- 0000792813
- Theory: A.C. Scheiner, G.E. Scuseria, H.F. Schaefer, J. Am. Chem. Soc. 108 (1986) 8160. Experiment: J.H. Glownia, S.J. Riley, Chem. Phys. Lett. 71 (1980) 429; revision of experiment by X. Zhao, W.B. Miller, E.J. Hintsa, Y.T. Lee, J. Chem. Phys. 90 (1989) 5527.
- (1989) J. Chem. Phys. , vol.90 , pp. 5527
- Zhao, X.¹ Miller, W.B.² Hintsa, E.J.³ Lee, Y.T.⁴

124
- 36549094790
- -1 with very strong infrared intensity.
- (1986) J. Chem. Phys. , vol.85 , pp. 3437
- Lee, T.J.¹ Schaefer, H.F.²

125
- 0001179941
- -1 with very strong infrared intensity
- -1 with very strong infrared intensity.
- (1989) J. Chem. Phys. , vol.91 , pp. 5139
- Crofton, M.W.¹ Jagod, M.-F.² Rehfuss, B.D.³ Oka, T.⁴

126
- 0011610043
- Theory: C.E. Dykstra, H.F. Schaefer, J. Am. Chem. Soc. 100 (1978) 1378. Experiment: K.M. Ervin, J. Ho, W.C. Lineberger, J. Chem. Phys. 91 (1989) 5974.
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 1378
- Dykstra, C.E.¹ Schaefer, H.F.²

127
- 0002644438
- Theory: C.E. Dykstra, H.F. Schaefer, J. Am. Chem. Soc. 100 (1978) 1378. Experiment: K.M. Ervin, J. Ho, W.C. Lineberger, J. Chem. Phys. 91 (1989) 5974.
- (1989) J. Chem. Phys. , vol.91 , pp. 5974
- Ervin, K.M.¹ Ho, J.² Lineberger, W.C.³

128
- 33845552417
- Theory: G. P Raine, H.F. Schaefer, R.C. Haddon, J. Am. Chem. Soc. 105 (1983) 194. Experiment: D. Sülzle, N. Beye, E. Fanghänel, H. Schwarz, Chem. Ber. 123 (1990) 2069.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 194
- Raine, G.P.¹ Schaefer, H.F.² Haddon, R.C.³

129
- 0011493423
- Theory: G. P Raine, H.F. Schaefer, R.C. Haddon, J. Am. Chem. Soc. 105 (1983) 194. Experiment: D. Sülzle, N. Beye, E. Fanghänel, H. Schwarz, Chem. Ber. 123 (1990) 2069.
- (1990) Chem. Ber. , vol.123 , pp. 2069
- Sülzle, D.¹ Beye, N.² Fanghänel, E.³ Schwarz, H.⁴

130
- 0021510920
- Theory: J. Breulet, T.J. Lee, H.F. Schaefer, J. Am. Chem. Soc. 106 (1984) 6250. Experiment: J.J. Fisher, J. Michl, J. Am. Chem. Soc. 109 (1987) 1056; revision of experiment by K.B. Wiberg, R.E. Rosenberg, J. Am. Chem. Soc. 112 (1990) 1509.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 6250
- Breulet, J.¹ Lee, T.J.² Schaefer, H.F.³

131
- 0011701808
- Theory: J. Breulet, T.J. Lee, H.F. Schaefer, J. Am. Chem. Soc. 106 (1984) 6250. Experiment: J.J. Fisher, J. Michl, J. Am. Chem. Soc. 109 (1987) 1056; revision of experiment by K.B. Wiberg, R.E. Rosenberg, J. Am. Chem. Soc. 112 (1990) 1509.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 1056
- Fisher, J.J.¹ Michl, J.²

132
- 0001233381
- Theory: J. Breulet, T.J. Lee, H.F. Schaefer, J. Am. Chem. Soc. 106 (1984) 6250. Experiment: J.J. Fisher, J. Michl, J. Am. Chem. Soc. 109 (1987) 1056; revision of experiment by K.B. Wiberg, R.E. Rosenberg, J. Am. Chem. Soc. 112 (1990) 1509.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 1509
- Wiberg, K.B.¹ Rosenberg, R.E.²

133
- 0011767264
- Theory: D.J. Fox, D. Ray, P.C. Rubesin, H.F. Schaefer, J. Chem. Phys. 73 (1980) 3246. Experiment: R. Srivinas, D. Sülzle, H. Schwarz, J. Am. Chem. Soc. 112 (1990) 8334.
- (1980) J. Chem. Phys. , vol.73 , pp. 3246
- Fox, D.J.¹ Ray, D.² Rubesin, P.C.³ Schaefer, H.F.⁴

134
- 11944262586
- Theory: D.J. Fox, D. Ray, P.C. Rubesin, H.F. Schaefer, J. Chem. Phys. 73 (1980) 3246. Experiment: R. Srivinas, D. Sülzle, H. Schwarz, J. Am. Chem. Soc. 112 (1990) 8334.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8334
- Srivinas, R.¹ Sülzle, D.² Schwarz, H.³

135
- 0008043007
- Theory: G. Frenking, H.F. Schaefer, Chern. Phys. Lett. 109 (1984) 521. Experiment: C. Wieczorek, J. Allwohn, G. Schmidt-Lukasch, R. Hunold, W. Massa, A. Berndt, Angew. Chem., Int. Ed. Engl. 29 (1990) 398.
- (1984) Chern. Phys. Lett. , vol.109 , pp. 521
- Frenking, G.¹ Schaefer, H.F.²

136
- 0025240431
- Theory: G. Frenking, H.F. Schaefer, Chern. Phys. Lett. 109 (1984) 521. Experiment: C. Wieczorek, J. Allwohn, G. Schmidt-Lukasch, R. Hunold, W. Massa, A. Berndt, Angew. Chem., Int. Ed. Engl. 29 (1990) 398.
- (1990) Angew. Chem., Int. Ed. Engl. , vol.29 , pp. 398
- Wieczorek, C.¹ Allwohn, J.² Schmidt-Lukasch, G.³ Hunold, R.⁴ Massa, W.⁵ Berndt, A.⁶

137
- 0001404305
- Theory: M.M. Gallo, H.F. Schaefer, J. Chem. Phys. 93 (1990) 865. Experiment: H. Bürger, S. Sommer, J. Chem. Soc., Chem. Commun. (1991) 456.
- (1990) J. Chem. Phys. , vol.93 , pp. 865
- Gallo, M.M.¹ Schaefer, H.F.²

138
- 37049084437
- Theory: M.M. Gallo, H.F. Schaefer, J. Chem. Phys. 93 (1990) 865. Experiment: H. Bürger, S. Sommer, J. Chem. Soc., Chem. Commun. (1991) 456.
- (1991) J. Chem. Soc., Chem. Commun. , pp. 456
- Bürger, H.¹ Sommer, S.²

139
- 0000657349
- Theory: B.A. Hess, W.D. Allen, D. Michalska, L.J. Schaad, H.F. Schaefer, J. Am. Chem. Soc. 109 (1987) 1615. Experiment: P.K. Chou, S.R. Kass, J. Am. Chem. Soc. 113 (1991) 697.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 1615
- Hess, B.A.¹ Allen, W.D.² Michalska, D.³ Schaad, L.J.⁴ Schaefer, H.F.⁵

140
- 84985487187
- Theory: B.A. Hess, W.D. Allen, D. Michalska, L.J. Schaad, H.F. Schaefer, J. Am. Chem. Soc. 109 (1987) 1615. Experiment: P.K. Chou, S.R. Kass, J. Am. Chem. Soc. 113 (1991) 697.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 697
- Chou, P.K.¹ Kass, S.R.²

141
- 30244518277
- Theory: D.M. Hood, H.F. Schaefer, J. Chem. Phys. 68 (1978) 2985. Experiment: P.G. Mahaffy, R. Gutowsky, L.K. Montgomery, J. Am. Chem. Soc. 102 (1980) 2854; revision of experiment by H.S. Gutowsky, J. Chen, P.J. Hajduk, J.D. Keen, C. Chaung, T. Emilsson, J. Am. Chem. Soc. 113 (1991) 4747.
- (1978) J. Chem. Phys. , vol.68 , pp. 2985
- Hood, D.M.¹ Schaefer, H.F.²

142
- 0142222277
- Theory: D.M. Hood, H.F. Schaefer, J. Chem. Phys. 68 (1978) 2985. Experiment: P.G. Mahaffy, R. Gutowsky, L.K. Montgomery, J. Am. Chem. Soc. 102 (1980) 2854; revision of experiment by H.S. Gutowsky, J. Chen, P.J. Hajduk, J.D. Keen, C. Chaung, T. Emilsson, J. Am. Chem. Soc. 113 (1991) 4747.
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 2854
- Mahaffy, P.G.¹ Gutowsky, R.² Montgomery, L.K.³

143
- 0001165365
- Theory: D.M. Hood, H.F. Schaefer, J. Chem. Phys. 68 (1978) 2985. Experiment: P.G. Mahaffy, R. Gutowsky, L.K. Montgomery, J. Am. Chem. Soc. 102 (1980) 2854; revision of experiment by H.S. Gutowsky, J. Chen, P.J. Hajduk, J.D. Keen, C. Chaung, T. Emilsson, J. Am. Chem. Soc. 113 (1991) 4747.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4747
- Gutowsky, H.S.¹ Chen, J.² Hajduk, P.J.³ Keen, J.D.⁴ Chaung, C.⁵ Emilsson, T.⁶

144
- 0000683411
- Theory: G. Frenking, H.F. Schaefer, J. Chem. Phys. 82 (1985) 4585. Experiment: R.J. Van Zee, P.F. Ferrante, W. Weltner, J. Chem. Phys. 83 (1985) 6181; the SiOH isomer was first observed by R. Srivinas, D. Sülzle, W. Koch, C.H. DePuy, H. Schwarz, J. Am. Chem. Soc. 113 (1991) 5970.
- (1985) J. Chem. Phys. , vol.82 , pp. 4585
- Frenking, G.¹ Schaefer, H.F.²

145
- 0001270160
- Theory: G. Frenking, H.F. Schaefer, J. Chem. Phys. 82 (1985) 4585. Experiment: R.J. Van Zee, P.F. Ferrante, W. Weltner, J. Chem. Phys. 83 (1985) 6181; the SiOH isomer was first observed by R. Srivinas, D. Sülzle, W. Koch, C.H. DePuy, H. Schwarz, J. Am. Chem. Soc. 113 (1991) 5970.
- (1985) J. Chem. Phys. , vol.83 , pp. 6181
- Van Zee, R.J.¹ Ferrante, P.F.² Weltner, W.³

146
- 0001736439
- Theory: G. Frenking, H.F. Schaefer, J. Chem. Phys. 82 (1985) 4585. Experiment: R.J. Van Zee, P.F. Ferrante, W. Weltner, J. Chem. Phys. 83 (1985) 6181; the SiOH isomer was first observed by R. Srivinas, D. Sülzle, W. Koch, C.H. DePuy, H. Schwarz, J. Am. Chem. Soc. 113 (1991) 5970.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 5970
- Srivinas, R.¹ Sülzle, D.² Koch, W.³ DePuy, C.H.⁴ Schwarz, H.⁵

147
- 0000077854
- -1; the problem was eventually resolved by J.G. Radziszewski, B.A. Hess, R. Zahradnik, J. Am. Chem. Soc. 114 (1992) 52, following the first correct (but hotly disputed) experiment by D.G. Leopold, A.E.S. Miller, W.C. Lineberger, J. Am. Chem. Soc. 108 (1986) 1379.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 3118
- Scheiner, A.C.¹ Schaefer, H.F.² Liu, B.³

148
- 0001815234
- -1; the problem was eventually resolved by J.G. Radziszewski, B.A. Hess, R. Zahradnik, J. Am. Chem. Soc. 114 (1992) 52, following the first correct (but hotly disputed) experiment by D.G. Leopold, A.E.S. Miller, W.C. Lineberger, J. Am. Chem. Soc. 108 (1986) 1379.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 52
- Radziszewski, J.G.¹ Hess, B.A.² Zahradnik, R.³

149
- 33845375008
- -1; the problem was eventually resolved by J.G. Radziszewski, B.A. Hess, R. Zahradnik, J. Am. Chem. Soc. 114 (1992) 52, following the first correct (but hotly disputed) experiment by D.G. Leopold, A.E.S. Miller, W.C. Lineberger, J. Am. Chem. Soc. 108 (1986) 1379.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 1379
- Leopold, D.G.¹ Miller, A.E.S.² Lineberger, W.C.³

150
- 0004501430
- Theory: Y. Yamaguchi, Y. Xie, R.S. Grev, H.F. Schaefer, J. Chem. Phys. 92 (1990) 3683. Experiment: P. Hassanzadeh, L. Andrews, J. Phys. Chem 114 (1992) 83.
- (1990) J. Chem. Phys. , vol.92 , pp. 3683
- Yamaguchi, Y.¹ Xie, Y.² Grev, R.S.³ Schaefer, H.F.⁴

151
- 0001934458
- Theory: Y. Yamaguchi, Y. Xie, R.S. Grev, H.F. Schaefer, J. Chem. Phys. 92 (1990) 3683. Experiment: P. Hassanzadeh, L. Andrews, J. Phys. Chem 114 (1992) 83.
- (1992) J. Phys. Chem , vol.114 , pp. 83
- Hassanzadeh, P.¹ Andrews, L.²

152
- 0001362419
- Theory: S.J. Kim, T.P. Hamilton, H.F. Schaefer, J. Am. Chem. Soc. 114 (1992) 5349. Experiment: P.S. Drzaic, J.I. Brauman, J. Am. Chem. Soc. 106 (1984) 3443; P.S. Drzaic, J.I. Brauman, J. Phys. Chem. 88 (1984) 5285; revision of experiment by M.J. Travers, D.C. Cowles, E.P. Clifford, G.B. Ellison, J. Am. Chem. Soc. 114 (1992) 8699.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 5349
- Kim, S.J.¹ Hamilton, T.P.² Schaefer, H.F.³

153
- 0011644206
- Theory: S.J. Kim, T.P. Hamilton, H.F. Schaefer, J. Am. Chem. Soc. 114 (1992) 5349. Experiment: P.S. Drzaic, J.I. Brauman, J. Am. Chem. Soc. 106 (1984) 3443; P.S. Drzaic, J.I. Brauman, J. Phys. Chem. 88 (1984) 5285; revision of experiment by M.J. Travers, D.C. Cowles, E.P. Clifford, G.B. Ellison, J. Am. Chem. Soc. 114 (1992) 8699.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 3443
- Drzaic, P.S.¹ Brauman, J.I.²

154
- 0000545531
- Theory: S.J. Kim, T.P. Hamilton, H.F. Schaefer, J. Am. Chem. Soc. 114 (1992) 5349. Experiment: P.S. Drzaic, J.I. Brauman, J. Am. Chem. Soc. 106 (1984) 3443; P.S. Drzaic, J.I. Brauman, J. Phys. Chem. 88 (1984) 5285; revision of experiment by M.J. Travers, D.C. Cowles, E.P. Clifford, G.B. Ellison, J. Am. Chem. Soc. 114 (1992) 8699.
- (1984) J. Phys. Chem. , vol.88 , pp. 5285
- Drzaic, P.S.¹ Brauman, J.I.²

155
- 0001767095
- Theory: S.J. Kim, T.P. Hamilton, H.F. Schaefer, J. Am. Chem. Soc. 114 (1992) 5349. Experiment: P.S. Drzaic, J.I. Brauman, J. Am. Chem. Soc. 106 (1984) 3443; P.S. Drzaic, J.I. Brauman, J. Phys. Chem. 88 (1984) 5285; revision of experiment by M.J. Travers, D.C. Cowles, E.P. Clifford, G.B. Ellison, J. Am. Chem. Soc. 114 (1992) 8699.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 8699
- Travers, M.J.¹ Cowles, D.C.² Clifford, E.P.³ Ellison, G.B.⁴

156
- 36549100674
- Theory: G.E. Scuseria, T.J. Lee, R.J. Saykally, H.F. Schaefer, J. Chem. Phys. 84 (1986) 5711. Experiment: L.M. Ziurys, A.J. Apponi, J.T. Yoder, Astrophys. J. 397 (1992) L123.
- (1986) J. Chem. Phys. , vol.84 , pp. 5711
- Scuseria, G.E.¹ Lee, T.J.² Saykally, R.J.³ Schaefer, H.F.⁴

157
- 11944263572
- Theory: G.E. Scuseria, T.J. Lee, R.J. Saykally, H.F. Schaefer, J. Chem. Phys. 84 (1986) 5711. Experiment: L.M. Ziurys, A.J. Apponi, J.T. Yoder, Astrophys. J. 397 (1992) L123.
- (1992) Astrophys. J. , vol.397
- Ziurys, L.M.¹ Apponi, A.J.² Yoder, J.T.³

158
- 0005121433
- Theory: W.C. Swope, Y.-P. Lee, H.F. Schaefer, J. Chem. Phys. 71 (1979) 3761. Experiment: C.-C. Zen, F.-T. Tang, Y.-P. Lee, J. Chem. Phys. 96 (1992) 8054.
- (1979) J. Chem. Phys. , vol.71 , pp. 3761
- Swope, W.C.¹ Lee, Y.-P.² Schaefer, H.F.³

159
- 0005170150
- Theory: W.C. Swope, Y.-P. Lee, H.F. Schaefer, J. Chem. Phys. 71 (1979) 3761. Experiment: C.-C. Zen, F.-T. Tang, Y.-P. Lee, J. Chem. Phys. 96 (1992) 8054.
- (1992) J. Chem. Phys. , vol.96 , pp. 8054
- Zen, C.-C.¹ Tang, F.-T.² Lee, Y.-P.³

160
- 36549097731
- Theory: M.J. Frisch, J.E. Del Bene, J.S. Binkley, H.F. Schaefer, J. Chem. Phys. 84 (1986) 2279. Experiment: D.D. Nelson, G.T. Fraser, W. Klemperer, J. Chem. Phys. 83 (1985) 6201; revision of experiment by J.G. Loeser, C.A. Schmuttenmaer. R.C. Cohen, M.J. Elrod, D.W. Steyert, R.J. Saykally, R.E. Bumgamer, G.A. Blake, J. Chem. Phys. 97 (1992) 4727.
- (1986) J. Chem. Phys. , vol.84 , pp. 2279
- Frisch, M.J.¹ Del Bene, J.E.² Binkley, J.S.³ Schaefer, H.F.⁴

161
- 36549102768
- Theory: M.J. Frisch, J.E. Del Bene, J.S. Binkley, H.F. Schaefer, J. Chem. Phys. 84 (1986) 2279. Experiment: D.D. Nelson, G.T. Fraser, W. Klemperer, J. Chem. Phys. 83 (1985) 6201; revision of experiment by J.G. Loeser, C.A. Schmuttenmaer. R.C. Cohen, M.J. Elrod, D.W. Steyert, R.J. Saykally, R.E. Bumgamer, G.A. Blake, J. Chem. Phys. 97 (1992) 4727.
- (1985) J. Chem. Phys. , vol.83 , pp. 6201
- Nelson, D.D.¹ Fraser, G.T.² Klemperer, W.³

162
- 0000061538
- Theory: M.J. Frisch, J.E. Del Bene, J.S. Binkley, H.F. Schaefer, J. Chem. Phys. 84 (1986) 2279. Experiment: D.D. Nelson, G.T. Fraser, W. Klemperer, J. Chem. Phys. 83 (1985) 6201; revision of experiment by J.G. Loeser, C.A. Schmuttenmaer. R.C. Cohen, M.J. Elrod, D.W. Steyert, R.J. Saykally, R.E. Bumgamer, G.A. Blake, J. Chem. Phys. 97 (1992) 4727.
- (1992) J. Chem. Phys. , vol.97 , pp. 4727
- Loeser, J.G.¹ Schmuttenmaer, C.A.² Cohen, R.C.³ Elrod, M.J.⁴ Steyert, D.W.⁵ Saykally, R.J.⁶ Bumgamer, R.E.⁷ Blake, G.A.⁸

163
- 0000854874
- Theory: B.T. Colegrove, H.F. Schaefer, J. Phys. Chem. 94 (1990) 5593. Experiment: M. Cordonnier, M. Bogey, C. Demuynck, J.-L. Destombes, J. Chem. Phys. 97 (1992) 7984.
- (1990) J. Phys. Chem. , vol.94 , pp. 5593
- Colegrove, B.T.¹ Schaefer, H.F.²

164
- 36449005105
- Theory: B.T. Colegrove, H.F. Schaefer, J. Phys. Chem. 94 (1990) 5593. Experiment: M. Cordonnier, M. Bogey, C. Demuynck, J.-L. Destombes, J. Chem. Phys. 97 (1992) 7984.
- (1992) J. Chem. Phys. , vol.97 , pp. 7984
- Cordonnier, M.¹ Bogey, M.² Demuynck, C.³ Destombes, J.-L.⁴

165
- 26944489023
- Theory: B.R. Brooks, H.F. Schaefer, J. Chem. Phys. 67 (1977) 5146. Experiment: Z. Hou, K.D. Bayes, J. Phys. Chem. 96 (1992) 5685.
- (1977) J. Chem. Phys. , vol.67 , pp. 5146
- Brooks, B.R.¹ Schaefer, H.F.²

166
- 4043147323
- Theory: B.R. Brooks, H.F. Schaefer, J. Chem. Phys. 67 (1977) 5146. Experiment: Z. Hou, K.D. Bayes, J. Phys. Chem. 96 (1992) 5685.
- (1992) J. Phys. Chem. , vol.96 , pp. 5685
- Hou, Z.¹ Bayes, K.D.²

167
- 33845550411
- Theory: M.R. Hoffmann, Y Yoshioka, H.F. Schaefer, J. Am. Chem. Soc. 105 (1983) 1084. Experiment: A.A. Bengali, Ph.D. Thesis, Department of Chemistry, University of Minnesota, November, 1992; paper to be published with D.G. Leopold.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 1084
- Hoffmann, M.R.¹ Yoshioka, Y.² Schaefer, H.F.³

168
- 33845550411
- Ph.D. Thesis, Department of Chemistry, University of Minnesota, November, paper to be published with D.G. Leopold
- Theory: M.R. Hoffmann, Y Yoshioka, H.F. Schaefer, J. Am. Chem. Soc. 105 (1983) 1084. Experiment: A.A. Bengali, Ph.D. Thesis, Department of Chemistry, University of Minnesota, November, 1992; paper to be published with D.G. Leopold.
- (1992)
- Bengali, A.A.¹

169
- 36549100778
- Theory: W.D. Allen, H.F. Schaefer. J. Chem. Phys. 89 (1988) 329. Experiment: E.R. Lovejoy, S.K. Kim, C.B. Moore, Science 256 (1992) 1541.
- (1988) J. Chem. Phys. , vol.89 , pp. 329
- Allen, W.D.¹ Schaefer, H.F.²

170
- 0011641635
- Theory: W.D. Allen, H.F. Schaefer. J. Chem. Phys. 89 (1988) 329. Experiment: E.R. Lovejoy, S.K. Kim, C.B. Moore, Science 256 (1992) 1541.
- (1992) Science , vol.256 , pp. 1541
- Lovejoy, E.R.¹ Kim, S.K.² Moore, C.B.³

171
- 0039697307
- Experiment: D.E. Milligan, M.E. Jacox, J. Chem. Phys. 44 (1966) 2850. Theory: R.L. DeKock, R.S. Grev, H.F. Schaefer, J. Chem. Phys. 89 (1988) 3016. Revision of experiment: B.E. Wurfel, A. Thoma, R. Schlachta, V.E. Bondybey, Chem. Phys. Lett. 190 (1992) 119.
- (1966) J. Chem. Phys. , vol.44 , pp. 2850
- Milligan, D.E.¹ Jacox, M.E.²

172
- 36549094629
- Experiment: D.E. Milligan, M.E. Jacox, J. Chem. Phys. 44 (1966) 2850. Theory: R.L. DeKock, R.S. Grev, H.F. Schaefer, J. Chem. Phys. 89 (1988) 3016. Revision of experiment: B.E. Wurfel, A. Thoma, R. Schlachta, V.E. Bondybey, Chem. Phys. Lett. 190 (1992) 119.
- (1988) J. Chem. Phys. , vol.89 , pp. 3016
- DeKock, R.L.¹ Grev, R.S.² Schaefer, H.F.³

173
- 0000183835
- Experiment: D.E. Milligan, M.E. Jacox, J. Chem. Phys. 44 (1966) 2850. Theory: R.L. DeKock, R.S. Grev, H.F. Schaefer, J. Chem. Phys. 89 (1988) 3016. Revision of experiment: B.E. Wurfel, A. Thoma, R. Schlachta, V.E. Bondybey, Chem. Phys. Lett. 190 (1992) 119.
- (1992) Chem. Phys. Lett. , vol.190 , pp. 119
- Wurfel, B.E.¹ Thoma, A.² Schlachta, R.³ Bondybey, V.E.⁴

174
- 0038798496
- Theory: M. Bühl, H.F. Schaefer, J. Am. Chem. Soc. 115 (1993) 364. Experiment: F.M. Bickelhaupt, L.J. de Koning, N.M.M. Nibbering, J. Org. Chem. 58 (1993) 2436.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 364
- Bühl, M.¹ Schaefer, H.F.²

175
- 0000194412
- Theory: M. Bühl, H.F. Schaefer, J. Am. Chem. Soc. 115 (1993) 364. Experiment: F.M. Bickelhaupt, L.J. de Koning, N.M.M. Nibbering, J. Org. Chem. 58 (1993) 2436.
- (1993) J. Org. Chem. , vol.58 , pp. 2436
- Bickelhaupt, F.M.¹ De Koning, L.J.² Nibbering, N.M.M.³

176
- 33845561478
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- (1979) J. Am. Chem. Soc. , vol.101 , pp. 1072
- Zandler, M.E.¹ Goddard, J.D.² Schaefer, H.F.³

177
- 0000244427
- Theory: M.E. Zandler, J.D. Goddard, H.F. Schaefer, J. Am. Chem. Soc. 101 (1979) 1072. 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, S. Yamamoto, J. Mol. Spectrosc. 143 (1990) 203, and C.L. Morter, S.K. Farhat, R.F. Curl, Chem. Phys. Lett. 207 (1993) 153.
- (1990) J. Mol. Spectrosc. , vol.143 , pp. 203
- Brown, F.X.¹ Saito, S.² Yamamoto, S.³

178
- 0001562613
- Theory: M.E. Zandler, J.D. Goddard, H.F. Schaefer, J. Am. Chem. Soc. 101 (1979) 1072. 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, S. Yamamoto, J. Mol. Spectrosc. 143 (1990) 203, and C.L. Morter, S.K. Farhat, R.F. Curl, Chem. Phys. Lett. 207 (1993) 153.
- (1993) Chem. Phys. Lett. , vol.207 , pp. 153
- Morter, C.L.¹ Farhat, S.K.² Curl, R.F.³

179
- 0343293502
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- (1993) J. Chem. Phys. , vol.99 , pp. 7926
- Crawford, T.D.¹ Schaefer, H.F.²

180
- 0000617233
- Theory: T.D. Crawford, H.F. Schaefer, J. Chem. Phys. 99 (1993) 7926. Experiment: K. Shibuya, T. Kusumoto, H. Nagai, K. Obi, J. Chem. Phys. 95 (1991) 720; revision of experiment by K. Aoki, H, Nagai, K. Hoshina, K. Shibuya, J. Phys. Chem. 97 (1993) 8889.
- (1991) J. Chem. Phys. , vol.95 , pp. 720
- Shibuya, K.¹ Kusumoto, T.² Nagai, H.³ Obi, K.⁴

181
- 0001400471
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- (1993) J. Phys. Chem. , vol.97 , pp. 8889
- Aoki, K.¹ Nagai, H.² Hoshina, K.³ Shibuya, K.⁴

182
- 0000217799
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- (1993) J. Am. Chem. Soc. , vol.115 , pp. 1936
- Palagyi, Z.¹ Grev, R.S.² Schaefer, H.F.³

183
- 0000861444
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- (1993) J. Phys. Chem. , vol.97 , pp. 10295
- Chertihin, G.V.¹ Andrews, L.²

184
- 0009165914
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- (1990) J. Chem. Phys. , vol.92 , pp. 1174
- Blahous, C.P.¹ Xie, Y.² Schaefer, H.F.³

185
- 0002388201
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- (1993) Angew. Chem., Int. Ed. Engl. , vol.32 , pp. 74
- Maier, G.¹ Reisenauer, H.P.² Lanz, K.³ Tross, R.⁴ Jurgen, D.⁵ Hess, B.A.⁶ Schaad, L.J.⁷

186
- 33748243355
- Experiment: P. Paetzold, L. Geret-Baumgarten, R. Boese, Agnew. Chem., Int. Ed. Engl. 31 (1992) 1040. Theory in concert with the revision of experiment: M. Bühl, H.F. Schaefer, P.R. Schleyer, R. Boese, Agnew. Chem., Int. Ed. Engl. 32 (1993) 1154.
- (1992) Agnew. Chem., Int. Ed. Engl. , vol.31 , pp. 1040
- Paetzold, P.¹ Geret-Baumgarten, L.² Boese, R.³

187
- 33748242629
- Experiment: P. Paetzold, L. Geret-Baumgarten, R. Boese, Agnew. Chem., Int. Ed. Engl. 31 (1992) 1040. Theory in concert with the revision of experiment: M. Bühl, H.F. Schaefer, P.R. Schleyer, R. Boese, Agnew. Chem., Int. Ed. Engl. 32 (1993) 1154.
- (1993) Agnew. Chem., Int. Ed. Engl. , vol.32 , pp. 1154
- Bühl, M.¹ Schaefer, H.F.² Schleyer, P.R.³ Boese, R.⁴

188
- 0001540591
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- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1186
- Meredith, C.¹ Quelch, G.E.² Schaefer, H.F.³

189
- 0028137071
- Theory: C. Meredith, G.E. Quelch, H.F. Schaefer, J. Am. Chem. Soc. 113 (1991) 1186. Experiment: F. Cacace, M. Speranza, Science 265 (1994) 208.
- (1994) Science , vol.265 , pp. 208
- Cacace, F.¹ Speranza, M.²

190
- 0001377553
- Theory: C.-H. Hu, H.F. Schaefer, J. Phys. Chem. 97 (1993) 10681. Experiment: N. Goldberg, H. Schwarz, J. Phys. Chem. 98 (1994) 3080.
- (1993) J. Phys. Chem. , vol.97 , pp. 10681
- Hu, C.-H.¹ Schaefer, H.F.²

191
- 0000890296
- Theory: C.-H. Hu, H.F. Schaefer, J. Phys. Chem. 97 (1993) 10681. Experiment: N. Goldberg, H. Schwarz, J. Phys. Chem. 98 (1994) 3080.
- (1994) J. Phys. Chem. , vol.98 , pp. 3080
- Goldberg, N.¹ Schwarz, H.²

192
- 0000429354
- Theory: G. Frenking, R.B. Remington, H.F. Schaefer, J. Am. Chem. Soc. 108 (1986) 2169. Experiment: G. Maier, H.P. Reisenauer, H. Pacl, Angew. Chem., Int. Ed. Engl. 33 (1994) 1248.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 2169
- Frenking, G.¹ Remington, R.B.² Schaefer, H.F.³

193
- 33748243772
- Theory: G. Frenking, R.B. Remington, H.F. Schaefer, J. Am. Chem. Soc. 108 (1986) 2169. Experiment: G. Maier, H.P. Reisenauer, H. Pacl, Angew. Chem., Int. Ed. Engl. 33 (1994) 1248.
- (1994) Angew. Chem., Int. Ed. Engl. , vol.33 , pp. 1248
- Maier, G.¹ Reisenauer, H.P.² Pacl, H.³

194
- 0028407988
- Theory: B. Ma, H.M. Sulzbach, Y. Xie, H.F. Schaefer, J. Am. Chem. Soc. 116 (1994) 3529. Experiment: K.S. Feldman, C.M. Kraebel, M. Parvez, J. Am. Chem. Soc. 115 (1993) 3846; revision of experiment by K.S. Feldman, C.K. Weinreb, W.J. Youngs, J.D. Bradshaw, J. Am. Chem. Soc. 116 (1994) 9019.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 3529
- Ma, B.¹ Sulzbach, H.M.² Xie, Y.³ Schaefer, H.F.⁴

195
- 0000746215
- Theory: B. Ma, H.M. Sulzbach, Y. Xie, H.F. Schaefer, J. Am. Chem. Soc. 116 (1994) 3529. Experiment: K.S. Feldman, C.M. Kraebel, M. Parvez, J. Am. Chem. Soc. 115 (1993) 3846; revision of experiment by K.S. Feldman, C.K. Weinreb, W.J. Youngs, J.D. Bradshaw, J. Am. Chem. Soc. 116 (1994) 9019.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 3846
- Feldman, K.S.¹ Kraebel, C.M.² Parvez, M.³

196
- 0000408120
- Theory: B. Ma, H.M. Sulzbach, Y. Xie, H.F. Schaefer, J. Am. Chem. Soc. 116 (1994) 3529. Experiment: K.S. Feldman, C.M. Kraebel, M. Parvez, J. Am. Chem. Soc. 115 (1993) 3846; revision of experiment by K.S. Feldman, C.K. Weinreb, W.J. Youngs, J.D. Bradshaw, J. Am. Chem. Soc. 116 (1994) 9019.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 9019
- Feldman, K.S.¹ Weinreb, C.K.² Youngs, W.J.³ Bradshaw, J.D.⁴

197
- 36449005022
- Theory: B. Ma, H.F. Schaefer, J. Chem. Phys. 101 (1994) 2734. Experiment: S. Bailleux, M. Bogey, C. Demuynck, J.-L. Destombes, A. Walters, J. Chem. Phys. 101 (1994) 2729.
- (1994) J. Chem. Phys. , vol.101 , pp. 2734
- Ma, B.¹ Schaefer, H.F.²

198
- 36449006750
- Theory: B. Ma, H.F. Schaefer, J. Chem. Phys. 101 (1994) 2734. Experiment: S. Bailleux, M. Bogey, C. Demuynck, J.-L. Destombes, A. Walters, J. Chem. Phys. 101 (1994) 2729.
- (1994) J. Chem. Phys. , vol.101 , pp. 2729
- Bailleux, S.¹ Bogey, M.² Demuynck, C.³ Destombes, J.-L.⁴ Walters, A.⁵

199
- 0027196663
- Theory: C.-H. Hu, M. Shen, H.F. Schaefer, J. Am. Chem. Soc. 115 (1993) 2923. Experiment: P.D. Godfrey, R.D. Brown, J. Am. Chem. Soc. 117 (1995) 2019.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 2923
- Hu, C.-H.¹ Shen, M.² Schaefer, H.F.³

200
- 0028895066
- Theory: C.-H. Hu, M. Shen, H.F. Schaefer, J. Am. Chem. Soc. 115 (1993) 2923. Experiment: P.D. Godfrey, R.D. Brown, J. Am. Chem. Soc. 117 (1995) 2019.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 2019
- Godfrey, P.D.¹ Brown, R.D.²

201
- 0001453255
- Theory: C.H. Hu, M. Shen, H.F. Schaefer, Chem. Phys. Lett. 190 (1992) 543. Experiment: D.W. Boo, Y.T. Lee, J. Chem. Phys. 103 (1995) 514.
- (1992) Chem. Phys. Lett. , vol.190 , pp. 543
- Hu, C.H.¹ Shen, M.² Schaefer, H.F.³

202
- 0001386610
- Theory: C.H. Hu, M. Shen, H.F. Schaefer, Chem. Phys. Lett. 190 (1992) 543. Experiment: D.W. Boo, Y.T. Lee, J. Chem. Phys. 103 (1995) 514.
- (1995) J. Chem. Phys. , vol.103 , pp. 514
- Boo, D.W.¹ Lee, Y.T.²

203
- 0001448617
- Theory: P.R. Schreiner, S.J. Kim, H.F. Schaefer, P.R. Schleyer, J. Chem. Phys. 99 (1993) 3716. Commentary: G.E. Scuseria, Nature 366 (1993) 512. Experiment: D.W. Boo, Y.T. Lee, J. Chem. Phys. 103 (1995) 520.
- (1993) J. Chem. Phys. , vol.99 , pp. 3716
- Schreiner, P.R.¹ Kim, S.J.² Schaefer, H.F.³ Schleyer, P.R.⁴

204
- 0027716748
- Theory: P.R. Schreiner, S.J. Kim, H.F. Schaefer, P.R. Schleyer, J. Chem. Phys. 99 (1993) 3716. Commentary: G.E. Scuseria, Nature 366 (1993) 512. Experiment: D.W. Boo, Y.T. Lee, J. Chem. Phys. 103 (1995) 520.
- (1993) Nature , vol.366 , pp. 512
- Scuseria, G.E.¹

205
- 0342454383
- Theory: P.R. Schreiner, S.J. Kim, H.F. Schaefer, P.R. Schleyer, J. Chem. Phys. 99 (1993) 3716. Commentary: G.E. Scuseria, Nature 366 (1993) 512. Experiment: D.W. Boo, Y.T. Lee, J. Chem. Phys. 103 (1995) 520.
- (1995) J. Chem. Phys. , vol.103 , pp. 520
- Boo, D.W.¹ Lee, Y.T.²

206
- 0000997418
- Theory: J.E. Fowler, T.P. Hamilton, H.F. Schaefer, J. Am. Chem. Soc. 115 (1993) 4155. Experiment: A. Haaland, H.P. Verne, H.V. Volden, J.A. Morrison, J. Am. Chem. Soc. 117 (1995) 7554.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 4155
- Fowler, J.E.¹ Hamilton, T.P.² Schaefer, H.F.³

207
- 0000374851
- Theory: J.E. Fowler, T.P. Hamilton, H.F. Schaefer, J. Am. Chem. Soc. 115 (1993) 4155. Experiment: A. Haaland, H.P. Verne, H.V. Volden, J.A. Morrison, J. Am. Chem. Soc. 117 (1995) 7554.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 7554
- Haaland, A.¹ Verne, H.P.² Volden, H.V.³ Morrison, J.A.⁴

208
- 2542592828
- Theory: D.A. Homer, R.S. Grev, H.F. Schaefer, J. Am. Chem. Soc. 114 (1992) 2093. Experiment: R. Becerra, S.E. Boganov, M.P. Egorov, V. Ya. Lee, O.M. Nefedov, R. Walsh, Chem. Phys. Lett. 250 (1996) 111.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 2093
- Homer, D.A.¹ Grev, R.S.² Schaefer, H.F.³

209
- 0030589877
- Theory: D.A. Homer, R.S. Grev, H.F. Schaefer, J. Am. Chem. Soc. 114 (1992) 2093. Experiment: R. Becerra, S.E. Boganov, M.P. Egorov, V. Ya. Lee, O.M. Nefedov, R. Walsh, Chem. Phys. Lett. 250 (1996) 111.
- (1996) Chem. Phys. Lett. , vol.250 , pp. 111
- Becerra, R.¹ Boganov, S.E.² Egorov, M.P.³ Lee, V.Ya.⁴ Nefedov, O.M.⁵ Walsh, R.⁶

210
- 37049080772
- Theory: G.E. Quelch, R.S. Grev, H.F. Schaefer, J. Chem. Soc., Chem. Commun. (1989) 1498. Experiment: T. Mehner, H. Schnöckel, M.J. Almond, A.J. Downs, J. Chem. Soc., Chem. Commun. (1988) 117; J.H.B. Chenier, J.A. Howard, H.A. Joly, B. Mile, P.L. Timms, J. Chem. Soc., Chem. Commun. (1990) 581; revision of experiment by A.P. Williams, R.J. Van Zee, W. Weltner, J. Am. Chem. Soc. 118 (1996) 4498.
- (1989) J. Chem. Soc., Chem. Commun. , pp. 1498
- Quelch, G.E.¹ Grev, R.S.² Schaefer, H.F.³

211
- 37049067995
- Theory: G.E. Quelch, R.S. Grev, H.F. Schaefer, J. Chem. Soc., Chem. Commun. (1989) 1498. Experiment: T. Mehner, H. Schnöckel, M.J. Almond, A.J. Downs, J. Chem. Soc., Chem. Commun. (1988) 117; J.H.B. Chenier, J.A. Howard, H.A. Joly, B. Mile, P.L. Timms, J. Chem. Soc., Chem. Commun. (1990) 581; revision of experiment by A.P. Williams, R.J. Van Zee, W. Weltner, J. Am. Chem. Soc. 118 (1996) 4498.
- (1988) J. Chem. Soc., Chem. Commun. , pp. 117
- Mehner, T.¹ Schnöckel, H.² Almond, M.J.³ Downs, A.J.⁴

212
- 37049085956
- Theory: G.E. Quelch, R.S. Grev, H.F. Schaefer, J. Chem. Soc., Chem. Commun. (1989) 1498. Experiment: T. Mehner, H. Schnöckel, M.J. Almond, A.J. Downs, J. Chem. Soc., Chem. Commun. (1988) 117; J.H.B. Chenier, J.A. Howard, H.A. Joly, B. Mile, P.L. Timms, J. Chem. Soc., Chem. Commun. (1990) 581; revision of experiment by A.P. Williams, R.J. Van Zee, W. Weltner, J. Am. Chem. Soc. 118 (1996) 4498.
- (1990) J. Chem. Soc., Chem. Commun. , pp. 581
- Chenier, J.H.B.¹ Howard, J.A.² Joly, H.A.³ Mile, B.⁴ Timms, P.L.⁵

213
- 15844432045
- Theory: G.E. Quelch, R.S. Grev, H.F. Schaefer, J. Chem. Soc., Chem. Commun. (1989) 1498. Experiment: T. Mehner, H. Schnöckel, M.J. Almond, A.J. Downs, J. Chem. Soc., Chem. Commun. (1988) 117; J.H.B. Chenier, J.A. Howard, H.A. Joly, B. Mile, P.L. Timms, J. Chem. Soc., Chem. Commun. (1990) 581; revision of experiment by A.P. Williams, R.J. Van Zee, W. Weltner, J. Am. Chem. Soc. 118 (1996) 4498.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 4498
- Williams, A.P.¹ Van Zee, R.J.² Weltner, W.³

214
- 0001361113
- Theory: C. Meredith, T.P. Hamilton, H.F. Schaefer, J. Chem. Phys. 96 (1992) 9250; Y. Xie, W.D. Allen, Y. Yamaguchi, H.F. Schaefer, J. Chem. Phys. 104 (1996) 7615. Experiment: D. Schröder, C.A. Schalley, N. Goldberg, J. Hrusak, H. Schwarz, Chem. Eur. J. 2 (1996) 1235.
- (1992) J. Chem. Phys. , vol.96 , pp. 9250
- Meredith, C.¹ Hamilton, T.P.² Schaefer, H.F.³

215
- 5644303339
- Theory: C. Meredith, T.P. Hamilton, H.F. Schaefer, J. Chem. Phys. 96 (1992) 9250; Y. Xie, W.D. Allen, Y. Yamaguchi, H.F. Schaefer, J. Chem. Phys. 104 (1996) 7615. Experiment: D. Schröder, C.A. Schalley, N. Goldberg, J. Hrusak, H. Schwarz, Chem. Eur. J. 2 (1996) 1235.
- (1996) J. Chem. Phys. , vol.104 , pp. 7615
- Xie, Y.¹ Allen, W.D.² Yamaguchi, Y.³ Schaefer, H.F.⁴

216
- 0000685601
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