-
1
-
-
0642359614
-
-
Augspurger, J. D.; Dykstra, C. E. J. Chem. Phys. 1993, 99, 1828. Augspurger, J.; Pearson, J.; Oldfield, E.; Dykstra, C. E.; Park, K. D.; Schwartz, D. J. Magn. Reson. 1992, 100, 342.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 1828
-
-
Augspurger, J.D.1
Dykstra, C.E.2
-
2
-
-
44049112110
-
-
Augspurger, J. D.; Dykstra, C. E. J. Chem. Phys. 1993, 99, 1828. Augspurger, J.; Pearson, J.; Oldfield, E.; Dykstra, C. E.; Park, K. D.; Schwartz, D. J. Magn. Reson. 1992, 100, 342.
-
(1992)
J. Magn. Reson.
, vol.100
, pp. 342
-
-
Augspurger, J.1
Pearson, J.2
Oldfield, E.3
Dykstra, C.E.4
Park, K.D.5
Schwartz, D.6
-
4
-
-
0003406768
-
-
Vogel, A.; Creswell, W.; Jefferey, G.; Leicester, I. Chem. Ind. 1950, 258.
-
(1950)
Chem. Ind.
, pp. 258
-
-
Vogel, A.1
Creswell, W.2
Jefferey, G.3
Leicester, I.4
-
7
-
-
36149019796
-
-
Tessman, J. R.; Kahn, A. H.; Schockley, W. Phys. Rev. 1953, 92, 890.
-
(1953)
Phys. Rev.
, vol.92
, pp. 890
-
-
Tessman, J.R.1
Kahn, A.H.2
Schockley, W.3
-
8
-
-
33947091822
-
-
Applequist, J.; Carl, J. R.; Fung, K.-K. J. Am. Chem. Soc. 1972, 94, 2952.
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 2952
-
-
Applequist, J.1
Carl, J.R.2
Fung, K.-K.3
-
10
-
-
0003345284
-
-
Camail, M.; Proutiere, A.; Bodot, H. J. Phys. Chem. 1978, 82, 2617.
-
(1978)
J. Phys. Chem.
, vol.82
, pp. 2617
-
-
Camail, M.1
Proutiere, A.2
Bodot, H.3
-
19
-
-
84946348222
-
-
Bader, R. F. W.; Keith, T. A.; Gough, K. M.; Laidig, K. E. Mol. Phys. 1992, 75, 1167.
-
(1992)
Mol. Phys.
, vol.75
, pp. 1167
-
-
Bader, R.F.W.1
Keith, T.A.2
Gough, K.M.3
Laidig, K.E.4
-
25
-
-
0008892045
-
-
Birge, R. R.; Schick, G. A.; Bocian, D. F. J. Chem. Phys. 1983, 79, 2256.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 2256
-
-
Birge, R.R.1
Schick, G.A.2
Bocian, D.F.3
-
29
-
-
11644325085
-
-
Howard, A. E.; Singh, U. C.; Billeter, M.; Kollman, P. A. J. Am. Chem. Soc. 1988, 110, 6894.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 6894
-
-
Howard, A.E.1
Singh, U.C.2
Billeter, M.3
Kollman, P.A.4
-
30
-
-
0001003346
-
-
Caldwell, J.; Dang, L. X.; Kollman, P. A. J. Am. Chem. Soc. 1990, 112, 9144.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 9144
-
-
Caldwell, J.1
Dang, L.X.2
Kollman, P.A.3
-
31
-
-
0000042113
-
-
Dang, L.; Rice, J.; Caldwell, J.; Kollman, P. J. Am. Chem. Soc. 1991, 113, 2481.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2481
-
-
Dang, L.1
Rice, J.2
Caldwell, J.3
Kollman, P.4
-
42
-
-
35348906888
-
-
Dunning, T. H. J. Chem. Phys. 1971, 55, 716. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
-
(1971)
J. Chem. Phys.
, vol.55
, pp. 716
-
-
Dunning, T.H.1
-
43
-
-
36849140788
-
-
Dunning, T. H. J. Chem. Phys. 1971, 55, 716. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
-
(1965)
J. Chem. Phys.
, vol.42
, pp. 1293
-
-
Huzinaga, S.1
-
49
-
-
0000219101
-
-
Amos, R. D. Chem. Phys. Lett. 1980, 70, 613; 1982, 88, 89.
-
(1982)
Chem. Phys. Lett.
, vol.88
, pp. 89
-
-
-
53
-
-
0001392512
-
-
Cizek, J. J. Chem. Phys. 1966, 45, 4256; Adv. Chem. Phys. 1969, 14, 35.
-
(1966)
J. Chem. Phys.
, vol.45
, pp. 4256
-
-
Cizek, J.1
-
54
-
-
0004620463
-
-
Cizek, J. J. Chem. Phys. 1966, 45, 4256; Adv. Chem. Phys. 1969, 14, 35.
-
(1969)
Adv. Chem. Phys.
, vol.14
, pp. 35
-
-
-
58
-
-
0004224683
-
-
Dykstra, C. E., Ed.; Reidel: Dordrecht
-
Bartlett, R. J.; Paldus, J.; Dykstra, C. E. In Advanced Theories and Computational Approaches to the Electronic Structure of Molecules; Dykstra, C. E., Ed.; Reidel: Dordrecht, 1984.
-
(1984)
Advanced Theories and Computational Approaches to the Electronic Structure of Molecules
-
-
Bartlett, R.J.1
Paldus, J.2
Dykstra, C.E.3
-
61
-
-
85034281999
-
-
note
-
Augmentation of TZ basis set was as follows: ELP s(0.05, 0.06), p(0.03, 0.005), d(0.9, 0.13, 0.02); ELP+d functions of ELP replaced with d(1.0, 0.2, 0.04, 0.008).
-
-
-
-
63
-
-
0001415705
-
-
Champagne, B.; Fripiat, J. G.; André, J.-M. J. Chem. Phys. 1992, 96, 8330.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 8330
-
-
Champagne, B.1
Fripiat, J.G.2
André, J.-M.3
-
65
-
-
0020764398
-
-
Kirtman, B.; Nilsson, W. B.; Palke, W. E. Solid State Commun. 1983, 46, 791.
-
(1983)
Solid State Commun.
, vol.46
, pp. 791
-
-
Kirtman, B.1
Nilsson, W.B.2
Palke, W.E.3
-
67
-
-
36549091613
-
-
Hurst, G. J. B.; Dupuis, M.; Clementi, E. J. Chem. Phys. 1988, 89, 385.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 385
-
-
Hurst, G.J.B.1
Dupuis, M.2
Clementi, E.3
-
69
-
-
0041340675
-
-
Kirtman, B.; Toto, J. L.; Robins, K. A.; Hasan, M. J. Chem. Phys. 1995, 702, 5950.
-
(1995)
J. Chem. Phys.
, vol.702
, pp. 5950
-
-
Kirtman, B.1
Toto, J.L.2
Robins, K.A.3
Hasan, M.4
-
70
-
-
0001927936
-
-
Toto, T. T.; Toto, J. L.; de Melo, C. P.; Hasan, M.; Kirtman, B. Chem. Phys. Lett. 1995, 244, 59.
-
(1995)
Chem. Phys. Lett.
, vol.244
, pp. 59
-
-
Toto, T.T.1
Toto, J.L.2
De Melo, C.P.3
Hasan, M.4
Kirtman, B.5
-
71
-
-
0001076322
-
-
Hasan, M.; Kim, S.-J.; Toto, J. L.; Kirtman, B. J. Chem. Phys. 1996, 105, 186.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 186
-
-
Hasan, M.1
Kim, S.-J.2
Toto, J.L.3
Kirtman, B.4
-
73
-
-
0003323222
-
Molecular Mechanics
-
American Chemical Society: Washington, DC
-
Burkert, U.; Allinger, N. L. Molecular Mechanics; ACS Monograph 177; American Chemical Society: Washington, DC, 1982.
-
(1982)
ACS Monograph 177
-
-
Burkert, U.1
Allinger, N.L.2
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