SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 124, Issue 1, 2002, Pages 104-112

Origin of attraction and directionality of the π/π interaction: Model chemistry calculations of benzene dimer interaction

(5) Tsuzuki, S a Honda, K a Uchimaru, T a Mikami, M a Tanabe, K a

a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

INTERACTION ENERGY;

DIMERS; DISPERSIONS; ELECTROSTATICS; MOLECULES;

BENZENE;

BENZENE DERIVATIVE; DIMER;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CORRELATION FUNCTION; DISPERSION; ELECTRICITY; ENERGY; MOLECULAR INTERACTION; STRUCTURE ANALYSIS; SURFACE CHARGE;

EID: 0037045235 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0105212 Document Type: Article

Times cited : (1046)

References (92)

1
- 36749121104
- (1975) J. Chem. Phys. , vol.63 , pp. 1419
- Janda, K.C.¹ Hemminger, J.C.² Winn, J.S.³ Novick, S.E.⁴ Harris, S.J.⁵ Klemperer, W.⁶

2
- 0001754921
- (1975) Mol. Phys. , vol.29 , pp. 777
- Evans, D.J.¹ Watts, R.O.²

3
- 0001894428
- (1976) Mol. Phys. , vol.31 , pp. 83
- Evans, D.J.¹ Watts, R.O.²

4
- 0000701903
- (1976) J. Chem. Phys. , vol.64 , pp. 1288
- MacRury, T.B.¹ Steele, W.A.² Berne, B.J.³

5
- 0005549024
- (1980) Acta Crystallogr. , Issue.A36 , pp. 715
- Williams, D.E.¹

6
- 0343779730
- (1984) J. Chem. Phys. , vol.81 , pp. 4871
- Law, K.S.¹ Schauer, M.² Bernstein, E.R.³

7
- 0000898252
- (1986) J. Chem. Phys. , vol.85 , pp. 1726
- Bornzen, K.O.¹ Selzle, H.L.² Schlag, E.W.³

8
- 33845283102
- (1987) J. Phys. Chem. , vol.91 , pp. 3233
- Grover, J.R.¹ Walters, E.A.² Hui, E.T.³

9
- 4243312996
- (1991) Chem. Phys. Lett. , vol.184 , pp. 411
- Krause, H.¹ Ernstberger, B.² Neusser, H.J.³

10
- 0010785963
- (1993) J. Chem. Phys. , vol.98 , pp. 4294
- Arunan, E.¹ Gutowsky, H.S.²

11
- 11744358597
- (1993) J. Chem. Phys. , vol.99 , pp. 748
- Venturo, V.A.¹ Felker, P.M.²

12
- 0007741223
- (1994) Chem. Rev. , vol.94 , pp. 1829
- Neusser, H.J.¹ Krause, H.²

13
- 0001144052
- (1996) J. Chem. Phys. , vol.104 , pp. 9079
- Thiery, M.-M.¹ Rerat, C.²

14
- 0000271131
- (1999) J. Chem. Phys. , vol.111 , pp. 9731
- Errington, J.R.¹ Panagiotopoulos, A.Z.²

15
- 0000898737
- (1999) J. Chem. Phys. , vol.111 , pp. 572
- Spirko, V.¹ Engkvist, O.² Soldan, P.³ Selzle, H.L.⁴ Schlag, E.W.⁵ Hobza, P.⁶

16
- 0020763563
- (1983) J. Am. Chon. Soc. , vol.105 , pp. 3777
- Karlstrom, G.¹ Linse, P.² Wallqvist, A.³ Jonsson, B.⁴

17
- 0006196620
- (1990) J. Chem. Phys. , vol.93 , pp. 5893
- Hobza, P.¹ Selzle, H.L.² Schlag, E.W.³

18
- 0005549325
- (1993) J. Phys. Chem. , vol.97 , pp. 3937
- Hobza, P.¹ Selzle, H.L.² Schlag, E.W.³

19
- 0001280462
- (1994) J. Mol. Struct. THEOCHEM , vol.307 , pp. 107
- Tsuzuki, S.¹ Uchimaru, T.² Tanabe, K.³

20
- 0000628471
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 3500
- Hobza, P.¹ Selzle, H.L.² Schlag, E.W.³

21
- 84986461296
- (1995) J. Comput. Chem. , vol.11 , pp. 1315
- Hobza, P.¹ Sponer, J.² Reschel, T.³

22
- 0037721149
- (1996) J. Phys. Chem. , vol.100 , pp. 18790
- Hobza, P.¹ Selzle, H.L.² Schlag, E.W.³

23
- 0038774655
- (1996) J. Chem. Phys. , vol.105 , pp. 2780
- Jaffe, R.L.¹ Smith, G.D.²

24
- 0030580842
- (1996) Chem. Phys. Lett. , vol.252 , pp. 206
- Tsuzuki, S.¹ Uchimaru, T.² Mikami, M.³ Tanabe, K.⁴

25
- 11744370264
- (1998) J. Phys. Chem. A , vol.102 , pp. 2501
- Hobza, P.¹ Spirko, V.² Selzle, H.L.³ Schlag, E.W.⁴

26
- 0000712654
- (2000) Chem. Phys. Lett. , vol.319 , pp. 547
- Tsuzuki, S.¹ Uchimaru, T.² Matsumura, K.³ Mikami, M.⁴ Tanabe, K.⁵

27
- 0000399648
- (2000) J. Phys. Chem. A , vol.104 , pp. 2953
- Gonzalez, C.¹ Lim, E.C.²

28
- 0002216609
- (1986) Chem. Phys. Lett. , vol.123 , pp. 69
- Van de Waal, B.W.¹

29
- 3643140670
- (1987) J. Chem. Phys. , vol.86 , pp. 2859
- Price, S.L.¹ Stone, A.J.²

30
- 84988058953
- (1987) J. Comput. Chem. , vol.8 , pp. 1139
- Petterson, I.¹ Liljefors, T.²

31
- 84988075103
- (1987) J. Comput. Chem. , vol.8 , pp. 1146
- Allinger, N.L.¹ Lii, J.-H.²

32
- 0001140922
- (1988) Chem. Phys. , vol.125 , pp. 165
- Carsky, P.¹ Selzle, H.L.² Schlag, E.W.³

33
- 0000299809
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4768
- Jorgensen, W.L.¹ Severance, D.L.²

34
- 11644288863
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4366
- Linse, P.¹

35
- 36449008562
- (1993) J. Chem. Phys. , vol.98 , pp. 8244
- Craven, C.J.¹ Hatton, P.D.² Pawley, G.S.³

36
- 0043089712
- (1993) J. Chem. Phys. , vol.98 , pp. 3905
- Del Mistro, G.¹ Stace, A.J.²

37
- 0000325131
- (1995) J. Phys. Chem. , vol.99 , pp. 13868
- Nagy, J.¹ Smith V.H., Jr.² Weaver, D.F.³

38
- 10844235866
- (1996) J. Chem. Phys. , vol.105 , pp. 8684
- Meijer, E.J.¹ Sprik, M.²

39
- 0030572299
- (1996) J. Phys. Chem. , vol.100 , pp. 9624
- Smith, G.D.¹ Jaffe, R.L.²

40
- 0000664642
- (1999) J. Chem. Phys. , vol.110 , pp. 5758
- Engkvist, O.¹ Hobza, P.² Selzle, H.L.³ Schlag, E.W.⁴

41
- 0034317690
- (2000) Chem. Rev. , vol.100 , pp. 4145
- Kim, K.S.¹ Tarakeshwar, P.² Lee, J.Y.³

42
- 0000464139
- (1980) J. Phys. Chem. , vol.84 , pp. 2135
- Foster, R.¹

43
- 0007672439
- (1995) Science , vol.229 , pp. 23
- Burley, S.K.¹ Petsko, G.A.²

44
- 0342810084
- (1985) FEBS Lett. , vol.191 , pp. 1
- Singh, J.¹ Thornton, J.M.²

45
- 2142775205
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 1983
- Shepodd, T.J.¹ Petti, M.A.² Dougherty, D.A.³

46
- 0023683023
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 6561
- Muehldorf, A.V.¹ Van Engen, D.² Warner, J.C.³ Hamilton, A.D.⁴

47
- 84990101184
- (1988) Angew. Chem., Int. Ed. Engl. , vol.27 , pp. 362
- Diederich, F.¹

48
- 0000619957
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 1373
- Zimmerman, S.C.¹ VanZyl, C.M.² Hamilton, G.S.³

49
- 0024502657
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 1082
- Askew, B.¹ Ballester, P.² Buhr, C.³ Jeong, K.S.⁴ Jones, S.⁵ Parris, K.⁶ Williams, K.⁷ Rebek J., Jr.⁸

50
- 84990085618
- (1989) Angew. Chem., Int. Ed. Engl. , vol.28 , pp. 1394
- Ortholand, J.-Y.¹ Slawin, A.M.Z.² Spencer, N.³ Stoddart, J.F.⁴ Williams, D.J.⁵

51
- 0025343507
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 339
- Smithrud, D.B.¹ Diederich, F.²

52
- 0001227655
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 5525
- Hunter, C.A.¹ Sanders, J.K.M.²

53
- 0001450989
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 5773
- Hunter, C.A.¹ Meah, M.N.² Sanders, J.K.M.³

54
- 0000981092
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8807
- Duchowski, J.K.¹ Bocian, D.F.²

55
- 0001301147
- (1990) Angew. Chem. , vol.102 , pp. 261
- Rebek J., Jr.¹

56
- 0025878347
- (1991) J. Mol. Biol , vol.218 , pp. 837
- Hunter, C.A.¹ Singh, J.² Thornton, J.M.³

57
- 0002432331
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 797
- Rotello, V.M.¹ Viani, E.A.² Deslongchamps, G.³ Murray, B.A.⁴ Rebek J., Jr.⁵

58
- 0028931709
- (1995) J. Mol. Biol , vol.247 , pp. 34
- Gorin, A.A.¹ Zhurkin, V.B.² Olson, W.K.³

59
- 0029811409
- (1996) Angew. Chem., Int. Ed. Engl. , vol.35 , pp. 1154
- Philp, D.¹ Stoddart, J.F.²

60
- 0030723408
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 9956
- Reek, J.N.H.¹ Priem, A.H.² Engelkamp, H.³ Rowan, A.E.⁴ Elemans, J.A.A.W.⁵ Nolte, R.J.M.⁶

61
- 0032576121
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 10793
- Ranganathan, D.¹ Haridas, V.² Gilardi, R.³ Karle, I.L.⁴

62
- 0032565077
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 2563
- Talladi, V.R.¹ Brasselet, S.² Weiss, H.-C.³ Blaser, D.⁴ Katz, A.K.⁵ Carrell, H.L.⁶ Boese, R.⁷ Zyss, J.⁸ Nangia, A.⁹ Desiraju, G.R.¹⁰

63
- 0033824762
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 8350
- Griffiths-Jones, S.R.¹ Searle, M.S.²

64
- 0034718097
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 6841
- Guckian, K.M.¹ Krugh, T.R.² Kool, E.T.³

65
- 0031553240
- (1997) J. Phys. Chem. A , vol.101 , pp. 10178
- Stone, A.J.¹ Tsuzuki, S.²

66
- 0034686733
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 6701
- Vallee, R.¹ Damman, P.² Dosiere, M.³ Toussaere, E.⁴ Zyss, J.⁵

67
- 0032506944
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 920
- Asakawa, M.¹ Ashton, P.R.² Hayes, W.³ Janssen, H.M.⁴ Meijer, E.W.⁵ Menzer, S.⁶ Pasini, D.⁷ Stoddart, J.F.⁸ White, A.J.P.⁹ Williams, D.J.¹⁰

68
- 0032513696
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 4295
- Amabilino, D.B.¹ Ashton, P.R.² Balzani, V.³ Boyd, S.E.⁴ Credi, A.⁵ Lee, J.Y.⁶ Menzer, S.⁷ Stoddart, J.F.⁸ Venturi, M.⁹ Williams, D.J.¹⁰

69
- 0032567215
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 11932
- Ashton, P.R.¹ Ballardini, R.² Balzani, V.³ Baxter, I.⁴ Credi, A.⁵ Fyfe, M.C.T.⁶ Gandolfi, M.T.⁷ Gomez-Lopez, M.⁸ Martinez-Diaz, M.-V.⁹ Piersanti, A.¹⁰ Spencer, N.¹¹ Stoddart, J.F.¹² Venturi, M.¹³ White, A.J.P.¹⁴ Williams, D.J.¹⁵

70
- 85068519050
- (1998) J. Org. Chem. , vol.63 , pp. 6523
- Raymo, F.M.¹ Houk, K.N.² Stoddart, J.F.³

71
- 0003770889
- Clarendon Press: Oxford
- (1996) The theory of intermolecular forces
- Stone, A.J.¹

72
- 33847089778
- (1977) Acc. Chem. Res. , vol.10 , pp. 294
- Morokuma, K.¹

73
- 6944251055
- (1934) Phys. Rev. , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

74
- 25044455217
- (1988) Chem. Phys. Lett. , vol.153 , pp. 503
- Head-Gordon, M.¹ Pople, J.A.² Frisch, M.J.³

75
- 0011682081
- (1987) J. Chem. Phys. , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

76
- 36549094556
- (1989) J. Chem. Phys. , vol.90 , pp. 3700
- Scuseria, G.E.¹ Schaefer III, H.F.²

78
- 33846227710
- (1961) J. Chem. Phys. , vol.34 , pp. 2109
- Ransil, B.J.¹

79
- 84890021933
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

80
- 0347007668
- (1992) J. Chem. Phys. , vol.96 , pp. 6104
- Feller, D.¹

81
- 84947640036
- (1985) Mol. Phys. , vol.56 , pp. 1047
- Stone, A.J.¹ Alderton, M.²

82
- 2042429925
- Technology report, University of Cambridge, A suite of quantum chemistry programs developed by Amos, R. D. with contributions from Alberts, I. L.; Andrews, J. S.; Colwell, S. M.; Handy, N. C.; Jayatilaka, D.; Knowles, P. J.; Kobayashi, R.; Laidig, K. E.; Laming, G.; Lee, A. M,; Maslen, P. E.; Murray, C. W,; Rice, J. E.; Simandiras, E. D.; Stone, A. J.; Su, M. D.; Tozer, D. J.
- (1995) CADPAC: The Cambridge Analytical Derivatives Package , Issue.6
- Amos, R.D.¹

83
- 0004237988
- University of Cambridge
- (1995) Orient, a program for studying interactions between molecules version 3.2
- Stone, A.J.¹ Dullweber, A.² Hodges, M.P.³ Popelier, P.L.A.⁴ Wales, D.J.⁵

84
- 1442298399
- (1985) Mol. Phys. , vol.56 , pp. 1065
- Stone, A.J.¹

85
- 0000919095
- (1933) Z. Phys. , vol.80 , pp. 107
- Stuart, H.A.¹ Volkmann, H.²

86
- 33746614482
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

87
- 3843146349
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning T.H., Jr.²

88
- 2042533793
- note

89
- 36749116108
- (1983) J. Chem. Phys. , vol.79 , pp. 6426
- Buckingham, A.D.¹ Fowler, P.W.²

90
- 0000378902
- (1985) Can. J. Chem. , vol.63 , pp. 2018
- Buckingham, A.D.¹ Fowler, P.W.²

91
- 0034685467
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 3746
- Tsuzuki, S.¹ Honda, K.² Uchimaru, T.³ Mikami, M.⁴ Tanabe, K.⁵

92
- 0034703739
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 11450
- Tsuzuki, S.¹ Honda, K.² Uchimaru, T.³ Mikami, M.⁴ Tanabe, K.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.