-
1
-
-
0003231406
-
Cluster Models for Surface and Bulk Phenomena
-
Plenum Press: New York
-
Pacchioni, G.; Bagus, P. S.; and Parmigiani, F. Eds.; Cluster Models for Surface and Bulk Phenomena; NATO ASI Series B 283; Plenum Press: New York, 1992.
-
(1992)
NATO ASI Series B
, vol.283
-
-
Pacchioni, G.1
Bagus, P.S.2
Parmigiani, F.3
-
8
-
-
0000340066
-
-
Nakatsuji, H.; Nakai, H.; Fukunishi, Y. J Chem Phys 1991, 95, 640.
-
(1991)
J Chem Phys
, vol.95
, pp. 640
-
-
Nakatsuji, H.1
Nakai, H.2
Fukunishi, Y.3
-
10
-
-
0001202902
-
-
Truong, T. N.; Truhlar, D. G.; Garret, B. C. J Phys Chem 1989, 93, 8227.
-
(1989)
J Phys Chem
, vol.93
, pp. 8227
-
-
Truong, T.N.1
Truhlar, D.G.2
Garret, B.C.3
-
12
-
-
0029322277
-
-
Cremaschi, P.; Yang, H.; Whitten, J. Surf Sci 1995, 330, 255.
-
(1995)
Surf Sci
, vol.330
, pp. 255
-
-
Cremaschi, P.1
Yang, H.2
Whitten, J.3
-
14
-
-
84962367344
-
-
Lipkowitz, K. B.; Boyd, D. B., Eds.; VCH: New York
-
Gao, J. In Reviews in Computational Chemistry; Lipkowitz, K. B.; Boyd, D. B., Eds.; VCH: New York, 1995; Vol. 7, p 119.
-
(1995)
Reviews in Computational Chemistry
, vol.7
, pp. 119
-
-
Gao, J.1
-
17
-
-
84986513644
-
-
Field, M. J.; Bash, P. A.; Karplus, M. J Comp Chem 1990, 11, 700.
-
(1990)
J Comp Chem
, vol.11
, pp. 700
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
21
-
-
0006255975
-
-
Matsubara, T.; Maseras, F. Koga, N.; Morokuma, K. J Phys Chem 1996, 100, 2573.
-
(1996)
J Phys Chem
, vol.100
, pp. 2573
-
-
Matsubara, T.1
Koga N, M.F.2
Morokuma, K.3
-
22
-
-
0001291570
-
-
Matsubara, T.; Sieber, S.; Morokuma, K. Int J Quant Chem 1996, 60, 1101.
-
(1996)
Int J Quant Chem
, vol.60
, pp. 1101
-
-
Matsubara, T.1
Sieber, S.2
Morokuma, K.3
-
23
-
-
0002928042
-
-
Ujaque, G.; Maseras, F.; Lledós, A. Theor Chim Acta 1996, 94, 67.
-
(1996)
Theor Chim Acta
, vol.94
, pp. 67
-
-
Ujaque, G.1
Maseras, F.2
Lledós, A.3
-
25
-
-
33748488437
-
-
Eichler, U.; Kölmel, C. M.; Sauer, J. J Comp Chem 1997, 18, 463.
-
(1997)
J Comp Chem
, vol.18
, pp. 463
-
-
Eichler, U.1
Kölmel, C.M.2
Sauer, J.3
-
26
-
-
0001593243
-
-
Carmer, C. S.; Weiner, B.; Freklach, M. J Chem Phys 1993, 99, 1356.
-
(1993)
J Chem Phys
, vol.99
, pp. 1356
-
-
Carmer, C.S.1
Weiner, B.2
Freklach, M.3
-
27
-
-
0001519072
-
-
Humbel, S.; Sieber, S.; Morokuma, K. J Chem Phys 1996, 105, 1959.
-
(1996)
J Chem Phys
, vol.105
, pp. 1959
-
-
Humbel, S.1
Sieber, S.2
Morokuma, K.3
-
28
-
-
0001242209
-
-
Svenson, M.; Humbel, S.; Morokuma, K. J Chem Phys 1996, 105, 3654.
-
(1996)
J Chem Phys
, vol.105
, pp. 3654
-
-
Svenson, M.1
Humbel, S.2
Morokuma, K.3
-
30
-
-
0031560545
-
-
Froese, R. D. J.; Humbel, S.; Svenson, M.; Morokuma, K. J Phys Chem 1997, 101, 227.
-
(1997)
J Phys Chem
, vol.101
, pp. 227
-
-
Froese, R.D.J.1
Humbel, S.2
Svenson, M.3
Morokuma, K.4
-
31
-
-
31144441067
-
-
Svenson, M.; Humbel, S.; Froese, R. D. J.; Matsubara, T.; Sieber, S.; Morokuma, K. J Phys Chem 1996, 100, 19357.
-
(1996)
J Phys Chem
, vol.100
, pp. 19357
-
-
Svenson, M.1
Humbel, S.2
Froese, R.D.J.3
Matsubara, T.4
Sieber, S.5
Morokuma, K.6
-
32
-
-
0030606757
-
-
Contiño, E. L.; Truhlar, D. G.; Morokuma, K. Chem Phys Lett 1996, 259, 159.
-
(1996)
Chem Phys Lett
, vol.259
, pp. 159
-
-
Contiño, E.L.1
Truhlar, D.G.2
Morokuma, K.3
-
33
-
-
0031078281
-
-
Noland, M.; Contiño, E. L.; Truhlar, D. G. J Phys Chem A 1997, 101, 1193.
-
(1997)
J Phys Chem A
, vol.101
, pp. 1193
-
-
Noland, M.1
Contiño, E.L.2
Truhlar, D.G.3
-
38
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem Phys Lett 1989, 157, 479.
-
(1989)
Chem Phys Lett
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
40
-
-
33751554101
-
-
Malmqvist, P.-Å.; Rendell, A.; Roos, B. O. J Phys Chem 1990, 94, 5477, Andersen, K.; Malmqvist, P.-Å.; Roos, B. O.; Sadlej, J. A.; Wolinski, K. J Phys Chem 1990, 94, 5483.
-
(1990)
J Phys Chem
, vol.94
, pp. 5477
-
-
Malmqvist, P.-Å.1
Rendell, A.2
Roos, B.O.3
-
41
-
-
0013004607
-
-
Malmqvist, P.-Å.; Rendell, A.; Roos, B. O. J Phys Chem 1990, 94, 5477, Andersen, K.; Malmqvist, P.-Å.; Roos, B. O.; Sadlej, J. A.; Wolinski, K. J Phys Chem 1990, 94, 5483.
-
(1990)
J Phys Chem
, vol.94
, pp. 5483
-
-
Andersen, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
Sadlej, J.A.4
Wolinski, K.5
-
42
-
-
33745996625
-
-
Allinger, N. L. Adv Phys Org Chem 1976, 13, 1, J Am Chem Soc 1977, 99, 8127, Burkert, U.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington DC, 1982.
-
(1976)
Adv Phys Org Chem
, vol.13
, pp. 1
-
-
Allinger, N.L.1
-
43
-
-
3042988525
-
-
Allinger, N. L. Adv Phys Org Chem 1976, 13, 1, J Am Chem Soc 1977, 99, 8127, Burkert, U.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington DC, 1982.
-
(1977)
J Am Chem Soc
, vol.99
, pp. 8127
-
-
-
44
-
-
33745996625
-
-
American Chemical Society: Washington DC
-
Allinger, N. L. Adv Phys Org Chem 1976, 13, 1, J Am Chem Soc 1977, 99, 8127, Burkert, U.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington DC, 1982.
-
(1982)
Molecular Mechanics
-
-
Burkert, U.1
Allinger, N.L.2
-
45
-
-
0024821263
-
-
Allinger, N. L.; Yuh, Y. H.; Lii, J.-H. J Am Chem Soc 1989, 111, 8551.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 8551
-
-
Allinger, N.L.1
Yuh, Y.H.2
Lii, J.-H.3
-
46
-
-
5244299085
-
-
Allinger, N. L.; Chen, K.; Lii, J.-H. J Comp Chem 1994, 17, 642.
-
(1994)
J Comp Chem
, vol.17
, pp. 642
-
-
Allinger, N.L.1
Chen, K.2
Lii, J.-H.3
-
49
-
-
84986512474
-
-
Brooks, B. R.; Burccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J Comp Chem 1983, 4, 187.
-
(1983)
J Comp Chem
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Burccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
50
-
-
0042041206
-
-
Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard III, W. A.; Skiff, W. M. J Am Chem Soc 1992, 114, 10024.
-
(1992)
J Am Chem Soc
, vol.114
, pp. 10024
-
-
Rappé, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard III, W.A.4
Skiff, W.M.5
-
51
-
-
33751058027
-
-
Ma, B.; Lii, J.; Schaefer III, H. F.; Allinger, N. L. J Phys Chem 1996, 100, 8763.
-
(1996)
J Phys Chem
, vol.100
, pp. 8763
-
-
Ma, B.1
Lii, J.2
Schaefer III, H.F.3
Allinger, N.L.4
|