-
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.
, vol.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.
, vol.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, 55, 3623.
-
(1980)
Bull. Chem. Soc. Jpn.
, vol.55
, 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.; E. Osawa 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
-
-
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
-
12
-
-
0000345442
-
-
Ungaro, R.; Pochini, A.; Andreetti, G. D.; Sangermano, V. J. Chem. Soc., Perkin Trans. 2 1984, 1979.
-
(1984)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 1979
-
-
Ungaro, R.1
Pochini, A.2
Andreetti, G.D.3
Sangermano, V.4
-
13
-
-
37049113355
-
-
Ungaro, R.; Pochini, A.; Andreetti, G. D.; Domiano, P. J. Chem. Soc. Perkin Trans. 2 1985, 197.
-
(1985)
J. Chem. Soc. Perkin Trans.
, vol.2
, pp. 197
-
-
Ungaro, R.1
Pochini, A.2
Andreetti, G.D.3
Domiano, P.4
-
14
-
-
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
-
15
-
-
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
-
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
-
25
-
-
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.
, vol.2
, pp. 1015
-
-
Takagi, T.1
Tanaka, A.2
Matsuo, S.3
Maezaki, H.4
Tani, M.5
Fujiwara, H.6
Sasaki, Y.7
-
29
-
-
11544305804
-
-
Tsuzuki, S.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Phys. Chem. 1998, 102, 2091.
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 2091
-
-
Tsuzuki, S.1
Uchimaru, T.2
Mikami, M.3
Tanabe, K.4
-
31
-
-
0037721149
-
-
Hobza, P.; Selzle, H. L.; Schlag, E. W. J. Phys. Chem. 1996, 100, 18790.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 18790
-
-
Hobza, P.1
Selzle, H.L.2
Schlag, E.W.3
-
32
-
-
0032562330
-
-
Tsuzuki, S.; Uchimaru, T.; Tanabe, K. Chem. Phys. Lett. 1998, 287, 202.
-
(1998)
Chem. Phys. Lett.
, vol.287
, pp. 202
-
-
Tsuzuki, S.1
Uchimaru, T.2
Tanabe, K.3
-
33
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94: Gaussian, Inc.: Pittsburgh, PA, 1994.
-
(1994)
Gaussian 94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
34
-
-
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
-
37
-
-
4143095330
-
-
Kendall, R. A.; Dunning Jr., T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning T.H., Jr.2
Harrison, R.J.3
-
39
-
-
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
-
40
-
-
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
-
47
-
-
0003990718
-
-
Technical Report, University of Cambridge, A suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, K. E. Laidig, G. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, J. E. Rice, E. D. Simandiras, A. J. Stone, M. D. Su, and D. J. Tozer
-
Amos, R. D. CADPAC: The Cambridge Analytical Derivatives Package. Issue 6; Technical Report, University of Cambridge, 1995, A suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, K. E. Laidig, G. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, J. E. Rice, E. D. Simandiras, A. J. Stone, M. D. Su, and D. J. Tozer.
-
(1995)
CADPAC: The Cambridge Analytical Derivatives Package
, Issue.6
-
-
Amos, R.D.1
-
48
-
-
0004237988
-
-
University of Cambridge, UK
-
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, UK, 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
-
49
-
-
0041555244
-
-
note
-
The multipole expansion of electrostatic interaction converges only if the charge distributions are far enough apart. The multipole approximation can be unreliable if the separation between the two interacting molecules is very small. To avoid this problem we have used distributed multipoles model instead of a conventional single site multipole model, in which multipoles is given on the center of gravity of a molecule to represent the charge distribution of the whole molecule. In the distributed multipoles model the molecule is divided into regions, each enclosing a single atom. The charges in each region is represented by the multipoles given on the atom in the region. The distributed multipoles model decreases the convergence sphere significantly, which enables us to obtain accurate electrostatic interaction even in short intermolecular separation, (ref 24).
-
-
-
-
50
-
-
11544305804
-
-
Tsuzuki, S.; Uchimaru, K.; Mikami, M.; Tanabe, K. J. Phys. Chem. A 1998, 102, 2091.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2091
-
-
Tsuzuki, S.1
Uchimaru, K.2
Mikami, M.3
Tanabe, K.4
-
51
-
-
85087251870
-
-
note
-
d(H) = 0.25).
-
-
-
-
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
-
-
0042056485
-
-
unpublished work of a data base study on crystal structures
-
Honda, K. unpublished work of a data base study on crystal structures.
-
-
-
Honda, K.1
-
58
-
-
0343124730
-
-
Tsuzuki, S.; Uchimaru, T.; Tanabe, K.; Yliniemela, A.; J. Mol. Struct. (Theochem) 1996, 365, 81.
-
(1996)
J. Mol. Struct. (Theochem)
, vol.365
, pp. 81
-
-
Tsuzuki, S.1
Uchimaru, T.2
Tanabe, K.3
Yliniemela, A.4
-
63
-
-
84986492477
-
-
Besler, B. H.; Mertz, K. M.; Kollman, P. A. J. Comput. Chem. 1990, 11, 431.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 431
-
-
Besler, B.H.1
Mertz, K.M.2
Kollman, P.A.3
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