-
2
-
-
0000184915
-
-
Kodama, Y.; Nishihata, K.; Nishio, M.; Nakagawa, N. Tetrahedron Lett. 1977, 2105.
-
(1977)
Tetrahedron Lett.
, pp. 2105
-
-
Kodama, Y.1
Nishihata, K.2
Nishio, M.3
Nakagawa, N.4
-
3
-
-
37049132069
-
-
Iitaka, Y.; Kodama, Y.; Nishihata, K.; Nishio, M. J. Chem. Soc., Chem. Commun. 1974, 389.
-
(1974)
J. Chem. Soc., Chem. Commun.
, pp. 389
-
-
Iitaka, Y.1
Kodama, Y.2
Nishihata, K.3
Nishio, M.4
-
4
-
-
37049110852
-
-
Kodama, Y.; Nishihata, K.; Nishio, M.; Iitaka, Y. J. Chem. Soc., Perkin Trans. 2 1976, 1490.
-
(1976)
J. Chem. Soc., Perkin Trans. 2
, pp. 1490
-
-
Kodama, Y.1
Nishihata, K.2
Nishio, M.3
Iitaka, Y.4
-
5
-
-
0001096161
-
-
Hirota, M.; Takahashi, Y.; Nishio, M.; Nishihata, K. Bull. Chem. Soc. Jpn. 1978, 51, 2358.
-
(1978)
Bull. Chem. Soc. Jpn.
, vol.51
, pp. 2358
-
-
Hirota, M.1
Takahashi, Y.2
Nishio, M.3
Nishihata, K.4
-
6
-
-
0000759971
-
-
Kodama, Y.; Nishihata, K.; Zushi, S.; Nishio, M.; Uzawa, J.; Sakamoto, K.; Iwamura, H. Bull. Chem. Soc. Jpn. 1979, 52, 2661.
-
(1979)
Bull. Chem. Soc. Jpn.
, vol.52
, pp. 2661
-
-
Kodama, Y.1
Nishihata, K.2
Zushi, S.3
Nishio, M.4
Uzawa, J.5
Sakamoto, K.6
Iwamura, H.7
-
7
-
-
37049104743
-
-
Kodama, Y.; Zushi, S.; Nishihata, K.; Nishio, M.; Uzawa, J. J. Chem. Soc., Perkin Trans. 2 1980, 1306.
-
(1980)
J. Chem. Soc., Perkin Trans. 2
, pp. 1306
-
-
Kodama, Y.1
Zushi, S.2
Nishihata, K.3
Nishio, M.4
Uzawa, J.5
-
8
-
-
0000821554
-
-
Uzawa, J.; Zushi, S.; Kodama, Y.; Fukuda, Y.; Nishihata, K.; Umemura, K.; Nishio, M.; Hirota, M. Bull. Chem. Soc. Jpn. 1980, 53, 3623.
-
(1980)
Bull. Chem. Soc. Jpn.
, vol.53
, pp. 3623
-
-
Uzawa, J.1
Zushi, S.2
Kodama, Y.3
Fukuda, Y.4
Nishihata, K.5
Umemura, K.6
Nishio, M.7
Hirota, M.8
-
9
-
-
0001757372
-
-
Zushi, S.; Kodama, Y.; Nishihata, K.; Umemura, K.; Nishio, M.; Uzawa, J.; Hirota, M. Bull. Chem. Soc. Jpn. 1980, 53, 3631.
-
(1980)
Bull. Chem. Soc. Jpn.
, vol.53
, pp. 3631
-
-
Zushi, S.1
Kodama, Y.2
Nishihata, K.3
Umemura, K.4
Nishio, M.5
Uzawa, J.6
Hirota, M.7
-
10
-
-
0001700177
-
-
Hirota, M.; Sekiya, T.; Abe, K.; Tashiro, H.; Karatsu, M.; Nishio, M.; Osawa, E. Tetrahedron 1983, 39, 3091.
-
(1983)
Tetrahedron
, vol.39
, pp. 3091
-
-
Hirota, M.1
Sekiya, T.2
Abe, K.3
Tashiro, H.4
Karatsu, M.5
Nishio, M.6
Osawa, E.7
-
11
-
-
0000540091
-
-
Karatsu, M.; Suezawa, H.; Abe, K.; Hirota, M.; Nishio, M. Bull. Chem. Soc. Jpn. 1986, 59, 3529.
-
(1986)
Bull. Chem. Soc. Jpn.
, vol.59
, pp. 3529
-
-
Karatsu, M.1
Suezawa, H.2
Abe, K.3
Hirota, M.4
Nishio, M.5
-
13
-
-
0024818071
-
-
Nakai, Y.; Inoue, K.; Yamamoto, G.; Oki, M. Bull. Chem. Soc. Jpn. 1989, 62, 2923.
-
(1989)
Bull. Chem. Soc. Jpn.
, vol.62
, pp. 2923
-
-
Nakai, Y.1
Inoue, K.2
Yamamoto, G.3
Oki, M.4
-
14
-
-
84985485486
-
-
Suezawa, H.; Mori, A.; Sato, M.; Ehama, R.; Akai, I.; Sakakibara, K.; Hirota, M.; Nishio, M.; Kodama, Y. J. Phys. Org. Chem. 1993, 6, 399.
-
(1993)
J. Phys. Org. Chem.
, vol.6
, pp. 399
-
-
Suezawa, H.1
Mori, A.2
Sato, M.3
Ehama, R.4
Akai, I.5
Sakakibara, K.6
Hirota, M.7
Nishio, M.8
Kodama, Y.9
-
15
-
-
0000452849
-
-
Ehama, R.; Tsushima, M.; Yuzuri, T.; Suezawa, H.; Sakakibara, K.; Hirota, M. Bull. Chem. Soc. Jpn. 1993, 66, 814.
-
(1993)
Bull. Chem. Soc. Jpn.
, vol.66
, pp. 814
-
-
Ehama, R.1
Tsushima, M.2
Yuzuri, T.3
Suezawa, H.4
Sakakibara, K.5
Hirota, M.6
-
18
-
-
0023256886
-
-
Vyas, N. K.; Vyas, M. N.; Quiocho, F. A. Nature 1987, 327, 635.
-
(1987)
Nature
, vol.327
, pp. 635
-
-
Vyas, N.K.1
Vyas, M.N.2
Quiocho, F.A.3
-
19
-
-
0024237631
-
-
Vyas, N. K.; Vyas, M. N.; Quiocho, F. A. Science 1988, 242, 1290.
-
(1988)
Science
, vol.242
, pp. 1290
-
-
Vyas, N.K.1
Vyas, M.N.2
Quiocho, F.A.3
-
20
-
-
0025754301
-
-
Spurlino, J. C.; Lu, G.-Y.; Quiocho, F. A. J. Biol. Chem. 1991, 266, 5202.
-
(1991)
J. Biol. Chem.
, vol.266
, pp. 5202
-
-
Spurlino, J.C.1
Lu, G.-Y.2
Quiocho, F.A.3
-
21
-
-
0001679930
-
-
Umezawa, Y.; Tsuboyama, S.; Honda, K.; Uzawa, J.; Nishio, M. Bull. Chem. Soc. Jpn. 1998, 71, 1207.
-
(1998)
Bull. Chem. Soc. Jpn.
, vol.71
, pp. 1207
-
-
Umezawa, Y.1
Tsuboyama, S.2
Honda, K.3
Uzawa, J.4
Nishio, M.5
-
24
-
-
0032836467
-
-
Umezawa, Y.; Tsuboyama, S.; Takahashi, H.; Uzawa, J.; Nishio, M. Bioorg. Med. Chem. 1999, 7, 2021.
-
(1999)
Bioorg. Med. Chem.
, vol.7
, pp. 2021
-
-
Umezawa, Y.1
Tsuboyama, S.2
Takahashi, H.3
Uzawa, J.4
Nishio, M.5
-
25
-
-
0033551825
-
-
Umezawa, Y.; Tsuboyama, S.; Takahasi, H.; Uzawa, J.; Nishio, M. Tetrahedron 1999, 55, 10047.
-
(1999)
Tetrahedron
, vol.55
, pp. 10047
-
-
Umezawa, Y.1
Tsuboyama, S.2
Takahasi, H.3
Uzawa, J.4
Nishio, M.5
-
26
-
-
0034683019
-
-
Takahashi, H.; Tsuboyama, S.; Umezawa, Y.; Honda, K.; Nishio, M. Tetrahedron 2000, 56, 6185.
-
(2000)
Tetrahedron
, vol.56
, pp. 6185
-
-
Takahashi, H.1
Tsuboyama, S.2
Umezawa, Y.3
Honda, K.4
Nishio, M.5
-
27
-
-
0011199687
-
-
note
-
Umezawa et al. reported that more than 75% of organic crystals have a short contact of the C-H bond with the π system from analysis of a crystal structure database.
-
-
-
-
28
-
-
37049091320
-
-
Andreetti, G. D.; Pochini, A.; Ungaro, R. J. Chem. Soc., Chem. Commun. 1979, 1005.
-
(1979)
J. Chem. Soc., Chem. Commun.
, pp. 1005
-
-
Andreetti, G.D.1
Pochini, A.2
Ungaro, R.3
-
29
-
-
0000345442
-
-
Ungaro, R.; Pochini, A.; Andreetti, G. D.; Sangermano, V. J. Chem. Soc., Perkin Trans. 2 1984, 1979.
-
(1984)
J. Chem. Soc., Perkin Trans. 2
, pp. 1979
-
-
Ungaro, R.1
Pochini, A.2
Andreetti, G.D.3
Sangermano, V.4
-
30
-
-
37049113355
-
-
Ungaro, R.; Pochini, A.; Andreetti, G. D.; Domiano, P. J. Chem. Soc., Perkin Trans. 2 1985, 197.
-
(1985)
J. Chem. Soc., Perkin Trans. 2
, pp. 197
-
-
Ungaro, R.1
Pochini, A.2
Andreetti, G.D.3
Domiano, P.4
-
31
-
-
2742593301
-
-
Kobayashi, K.; Asakawa, Y.; Kato, Y.; Aoyama, Y. J. Am. Chem. Soc. 1992, 114, 10307.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 10307
-
-
Kobayashi, K.1
Asakawa, Y.2
Kato, Y.3
Aoyama, Y.4
-
32
-
-
0000136276
-
-
Kobayashi, K.; Asakawa, Y.; Kikuchi, Y.; Toi, H.; Aoyama, Y. J. Am. Chem. Soc. 1993, 115, 2648.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 2648
-
-
Kobayashi, K.1
Asakawa, Y.2
Kikuchi, Y.3
Toi, H.4
Aoyama, Y.5
-
33
-
-
0001610080
-
-
Fujimoto, T.; Yanagihara, R.; Kobayashi, K.; Aoyama, Y. Bull. Chem. Soc. Jpn. 1995, 68, 2113.
-
(1995)
Bull. Chem. Soc. Jpn.
, vol.68
, pp. 2113
-
-
Fujimoto, T.1
Yanagihara, R.2
Kobayashi, K.3
Aoyama, Y.4
-
35
-
-
1242348325
-
-
Amabilino, D. B.; Ashton, P. R.; Brown, C. L.; Cordova, E.; Godinez, L. A.; Goodnow, T. T.; Kaifer, A. E.; Newton, S. P.; Pietraszkiewicz, M.; Philp, D.; Raymo, F. M.; Reder, A. S.; Rutland, M. T.; Slawin, A. M. Z.; Spencer, N. Stoddart, J. F.; Williams, D. J. J. Am. Chem. Soc. 1995, 117, 1271.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1271
-
-
Amabilino, D.B.1
Ashton, P.R.2
Brown, C.L.3
Cordova, E.4
Godinez, L.A.5
Goodnow, T.T.6
Kaifer, A.E.7
Newton, S.P.8
Pietraszkiewicz, M.9
Philp, D.10
Raymo, F.M.11
Reder, A.S.12
Rutland, M.T.13
Slawin, A.M.Z.14
Spencer, N.15
Stoddart, J.F.16
Williams, D.J.17
-
36
-
-
0031585689
-
-
Ballardini, R.; Balzani, V.; Credi, A.; Brown, C. L.; Gillard, R. E.; Montalti, M.; Philp, D.; Stoddart, J. F.; Venturi, M.; White, A. J. P.; Williams, B. J.; Williams, D. J. J. Am. Chem. Soc. 1997, 119, 12503.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 12503
-
-
Ballardini, R.1
Balzani, V.2
Credi, A.3
Brown, C.L.4
Gillard, R.E.5
Montalti, M.6
Philp, D.7
Stoddart, J.F.8
Venturi, M.9
White, A.J.P.10
Williams, B.J.11
Williams, D.J.12
-
37
-
-
0032506944
-
-
Asakawa, M.; Ashton, P. R.; Hayes, W.; Janssen, H. M.; Meijer, E. W.; Menzer, S.; Pasini, D.; Stoddart, J. F.; White, A. J. P.; Williams, D. J. J. Am. Chem. Soc. 1998, 120, 920.
-
(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
-
38
-
-
0032513696
-
-
Amabilino, D. B.; Ashton, P. R.; Balzani, V.; Boyd, S. E.; Credi, A.; Lee, J. Y.; Menzer, S.; Stoddart, J. F.; Venturi, M.; Williams, D. J. J. Am. Chem. Soc. 1998, 120, 4295.
-
(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
-
39
-
-
0032567215
-
-
Ashton, P. R.; Ballardini, R.; Balzani, V.; Baxter, I.; Credi, A.; Fyfe, M. C. T.; Gandolfi, M. T.; Gomez-Lopez, M.; Martinez-Diaz, M.-V.; Piersanti, A.; Spencer, N.; Stoddart, J. F.; Venturi, M.; White, A. J. P.; William, D. J. J. Am. Chem. Soc. 1998, 120, 11932.
-
(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
William, D.J.15
-
40
-
-
85068519050
-
-
Raymo, F. M.; Houk, K. N.; Stoddart, J. F. J. Org. Chem. 1998, 63, 6523.
-
(1998)
J. Org. Chem.
, vol.63
, pp. 6523
-
-
Raymo, F.M.1
Houk, K.N.2
Stoddart, J.F.3
-
41
-
-
33748962203
-
-
Shimohigashi, Y.; Maeda, I.; Nose, T.; Ikesue, K.; Sakamoto, H.; Ogawa, T.; Ide, Y.; Kawahara, M.; Nezu, T.; Terada, Y.; Kawano, K.; Ohno, M. J. Chem. Soc., Perkin Trans. 1 1996, 2479.
-
(1996)
J. Chem. Soc., Perkin Trans. 1
, pp. 2479
-
-
Shimohigashi, Y.1
Maeda, I.2
Nose, T.3
Ikesue, K.4
Sakamoto, H.5
Ogawa, T.6
Ide, Y.7
Kawahara, M.8
Nezu, T.9
Terada, Y.10
Kawano, K.11
Ohno, M.12
-
42
-
-
0001019356
-
-
Ochiai, K.; Mazaki, Y.; Nishikiori, S.; Kobayasi, K.; Hayashi, S. J. Chem. Soc., Perkin Trans. 2 1996, 1139.
-
(1996)
J. Chem. Soc., Perkin Trans. 2
, pp. 1139
-
-
Ochiai, K.1
Mazaki, Y.2
Nishikiori, S.3
Kobayasi, K.4
Hayashi, S.5
-
43
-
-
0033822766
-
-
Cantrill, S. J.; Preece, J. A.; Stoddart, J. F.; Wang, Z.-H.; White, A. J. P.; Williams, D. J. Tetrahedron 2000, 56, 6675.
-
(2000)
Tetrahedron
, vol.56
, pp. 6675
-
-
Cantrill, S.J.1
Preece, J.A.2
Stoddart, J.F.3
Wang, Z.-H.4
White, A.J.P.5
Williams, D.J.6
-
44
-
-
0033812931
-
-
Kinbara, K.; Oishi, K.; Harada, Y.; Saigo, K. Tetrahedron 2000, 56, 6651.
-
(2000)
Tetrahedron
, vol.56
, pp. 6651
-
-
Kinbara, K.1
Oishi, K.2
Harada, Y.3
Saigo, K.4
-
45
-
-
37049068703
-
-
Takagi, T.; Tanaka, A.; Matsuo, S.; Maezaki, H.; Tani, M.; Fujiwara, H.; Sasaki, Y. J. Chem. Soc., Perkin Trans. 2 1987, 1015.
-
(1987)
J. Chem. Soc., Perkin Trans. 2
, pp. 1015
-
-
Takagi, T.1
Tanaka, A.2
Matsuo, S.3
Maezaki, H.4
Tani, M.5
Fujiwara, H.6
Sasaki, Y.7
-
46
-
-
37049067443
-
-
Sakaki, S.; Kato, K.; Miyazaki, T.; Musashi, Y.; Ohkubo, K.; Ihara, H.; Hirayama, C. J. Chem. Soc., Faraday Trans. 1993, 89, 659.
-
(1993)
J. Chem. Soc., Faraday Trans.
, vol.89
, pp. 659
-
-
Sakaki, S.1
Kato, K.2
Miyazaki, T.3
Musashi, Y.4
Ohkubo, K.5
Ihara, H.6
Hirayama, C.7
-
47
-
-
0000168638
-
-
Tsuzuki, S.; Honda, K.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Phys. Chem. A 1999, 103, 8265.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 8265
-
-
Tsuzuki, S.1
Honda, K.2
Uchimaru, T.3
Mikami, M.4
Tanabe, K.5
-
48
-
-
0034685467
-
-
Tsuzuki, S.; Honda, K.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Am. Chem. Soc. 2000, 122, 3746.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 3746
-
-
Tsuzuki, S.1
Honda, K.2
Uchimaru, T.3
Mikami, M.4
Tanabe, K.5
-
49
-
-
0033622516
-
-
Oki, M.; Takano,S.; Toyota, S. Bull. Chem. Soc. Jpn. 2000, 73, 2221.
-
(2000)
Bull. Chem. Soc. Jpn.
, vol.73
, pp. 2221
-
-
Oki, M.1
Takano, S.2
Toyota, S.3
-
51
-
-
0000347740
-
-
Samanta, U.; Chakrabarti, P.; Chandrasekhar, J. J. Phys. Chem. A 1998, 102, 8964.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 8964
-
-
Samanta, U.1
Chakrabarti, P.2
Chandrasekhar, J.3
-
52
-
-
36749111449
-
-
Curtiess, L. A.; Frurip, D. J.; Blander, M. J. Chem. Phys. 1979, 71, 2703.
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 2703
-
-
Curtiess, L.A.1
Frurip, D.J.2
Blander, M.3
-
53
-
-
0002095647
-
-
Reimers, J.; Watts, R.; Klein, M. Chem. Phys. 1982, 64, 95.
-
(1982)
Chem. Phys.
, vol.64
, pp. 95
-
-
Reimers, J.1
Watts, R.2
Klein, M.3
-
55
-
-
0030079225
-
-
Feyereisen, M. W.; Feller, D.; Dixon, D. A. J. Phys. Chem. 1996, 100, 2993.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2993
-
-
Feyereisen, M.W.1
Feller, D.2
Dixon, D.A.3
-
56
-
-
0034211789
-
-
Suezawa, H.; Hashimoto, T.; Tsuchinaga, K.; Yoshida, T.; Yuzuri, T.; Sakakibara, K.; Hirota, M.; Nishio, M. J. Chem. Soc., Perkin Trans. 2 2000, 1243.
-
(2000)
J. Chem. Soc., Perkin Trans. 2
, pp. 1243
-
-
Suezawa, H.1
Hashimoto, T.2
Tsuchinaga, K.3
Yoshida, T.4
Yuzuri, T.5
Sakakibara, K.6
Hirota, M.7
Nishio, M.8
-
60
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Rev. A9; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Rev. A9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
61
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
65
-
-
25044455217
-
-
Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503.
-
(1988)
Chem. Phys. Lett.
, vol.153
, pp. 503
-
-
Head-Gordon, M.1
Pople, J.A.2
Frisch, M.J.3
-
66
-
-
0011682081
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
73
-
-
0011221562
-
-
University of Cambridge: Cambridge, U.K.; note
-
Amos, R. D. CADPAC: The Cambridge Analytical Derivatives Package, issue 6; University of Cambridge: Cambridge, U.K. 1995. 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
-
74
-
-
0004237988
-
-
University of Cambridge: Cambridge, U.K.
-
Stone, A. J.; Dullweber, A.; Hodges, M. P.; Popelier, P. L. A,; Wales, D. J. Orient: a program for studying interactions between molecules, version 3.2; University of Cambridge: Cambridge, U.K., 1995.
-
(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
-
78
-
-
11544305804
-
-
Tsuzuki, S.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Phys. Chem. A 1998, 102, 2091.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2091
-
-
Tsuzuki, S.1
Uchimaru, T.2
Mikami, M.3
Tanabe, K.4
-
80
-
-
0001667368
-
-
Tsuzuki, S.; Klopper, W.; Lüthi, H. P. J. Chem. Phys. 1999, 111, 3846.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 3846
-
-
Tsuzuki, S.1
Klopper, W.2
Lüthi, H.P.3
-
81
-
-
0001555554
-
-
Tsuzuki, S.; Uchimaru, T.; Mikami M.; Tanabe, K. J. Chem. Phys. 1998, 109, 2169.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 2169
-
-
Tsuzuki, S.1
Uchimaru, T.2
Mikami, M.3
Tanabe, K.4
-
82
-
-
0011196710
-
-
note
-
MP2(limit)'s estimated from MP2/cc-pVXZ calculations (-0.55 and -1.74 kcal/mol, respectively) are close to those from MP2/aug-cc-pVXZ calculations (-0.49 and -1.77 kcal/mol, respectively). The augmentations of the diffuse functions to cc-pVDZ and cc-pVTZ affected the calculated interaction energies substantially, while the effects of augmentations to cc-pVQZ were very small. See refs 47 and 48.
-
-
-
-
83
-
-
0000561334
-
-
Tsuzuki, S.; Uchimaru, T.; Matsumura, M.; Mikami, M.; Tanabe, K. J. Chem. Phys. 1999, 110, 11906.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 11906
-
-
Tsuzuki, S.1
Uchimaru, T.2
Matsumura, M.3
Mikami, M.4
Tanabe, K.5
-
84
-
-
0034703739
-
-
Tsuzuki, S.; Honda, K.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Am. Chem. Soc. 2000, 122, 11450.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 11450
-
-
Tsuzuki, S.1
Honda, K.2
Uchimaru, T.3
Mikami, M.4
Tanabe, K.5
-
87
-
-
0011196918
-
-
note
-
Nonbonding interactions can be separated into two main types. One is long-range interactions such as electrostatic and dispersion interactions in which the energy of interaction behaves as some inverse power of R. Another is short-range interactions such as exchange-repulsion and charge-transfer interactions. Short-range interactions arise at distances at which the molecular wave functions overlap significantly. The energies of short-range interactions decrease exponentially with distance.
-
-
-
-
88
-
-
0001290339
-
-
Hirota, M.; Sakaibara, K.; Suezawa, H.; Yuzuri, T.; Ankai, E.; Nishio, M. J. Phys. Org. Chem. 2000, 13, 620.
-
(2000)
J. Phys. Org. Chem.
, vol.13
, pp. 620
-
-
Hirota, M.1
Sakaibara, K.2
Suezawa, H.3
Yuzuri, T.4
Ankai, E.5
Nishio, M.6
|