-
1
-
-
36449004934
-
-
K. Hermansson, S. Knuts, J. Lindgren, J. Chem. Phys. 1991, 95, 7486-7496.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 7486-7496
-
-
Hermansson, K.1
Knuts, S.2
Lindgren, J.3
-
2
-
-
0012198979
-
-
L. Ojamäe, K. Hermansson, M. Probst, Chem. Phys. Lett. 1992, 191, 500-506.
-
(1992)
Chem. Phys. Lett.
, vol.191
, pp. 500-506
-
-
Ojamäe, L.1
Hermansson, K.2
Probst, M.3
-
3
-
-
21144460740
-
-
M. J. Wojcik, K. Hermansson, J. Lindgren, L. Ojamäe, Chem. Phys. 1993, 171, 189-201.
-
(1993)
Chem. Phys.
, vol.171
, pp. 189-201
-
-
Wojcik, M.J.1
Hermansson, K.2
Lindgren, J.3
Ojamäe, L.4
-
4
-
-
0001137355
-
-
R. Eggenberger, S. Gerber, H. Huber, D. Searles, M. Welker, J. Chem. Phys. 1992, 97, 5898-5904.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 5898-5904
-
-
Eggenberger, R.1
Gerber, S.2
Huber, H.3
Searles, D.4
Welker, M.5
-
5
-
-
0001606028
-
-
R. Eggenberger, S. Gerber, H. Huber, D. Searles, M. Welker, Mol. Phys. 1993, 80, 1177-1182.
-
(1993)
Mol. Phys.
, vol.80
, pp. 1177-1182
-
-
Eggenberger, R.1
Gerber, S.2
Huber, H.3
Searles, D.4
Welker, M.5
-
6
-
-
0001655411
-
-
R. Eggenberger, S. Gerber, H. Huber, D. Searles, M. Welker, J. Comput. Chem. 1993, 14, 1553-1560.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1553-1560
-
-
Eggenberger, R.1
Gerber, S.2
Huber, H.3
Searles, D.4
Welker, M.5
-
19
-
-
0000814728
-
-
V. G. Malkin, O. L. Malkina, M. E. Casida, D. R. Salahub, J. Am. Chem. Soc. 1994, 116, 5898.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5898
-
-
Malkin, V.G.1
Malkina, O.L.2
Casida, M.E.3
Salahub, D.R.4
-
20
-
-
0003622715
-
-
(Eds.: J. M. Seminario, P. Politzer), Elsevier, Amsterdam
-
V. G. Malkin, O. L. Malkina, L. A. Eriksson, D. R. Salahub in Modern Density Functional Theory: A Tool for Chemistry; Theoretical and Computational Chemistry, Vol. 2 (Eds.: J. M. Seminario, P. Politzer), Elsevier, Amsterdam, 1995.
-
(1995)
Modern Density Functional Theory: A Tool for Chemistry; Theoretical and Computational Chemistry
, vol.2
-
-
Malkin, V.G.1
Malkina, O.L.2
Eriksson, L.A.3
Salahub, D.R.4
-
21
-
-
0000661993
-
-
H. M. Sulzbach, P. von R. Schleyer, H. F. Schaefer, J. Am. Chem. Soc. 1994, 116, 3967.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 3967
-
-
Sulzbach, H.M.1
Schleyer, P.V.R.2
Schaefer, H.F.3
-
22
-
-
0001372772
-
-
H. M. Sulzbach, P. von R. Schleyer, H. F. Schaefer, J. Am. Chem. Soc. 1995, 117, 2632-2637.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 2632-2637
-
-
Sulzbach, H.M.1
Schleyer, P.V.R.2
Schaefer, H.F.3
-
26
-
-
0011493669
-
-
P. Bopp, G. Jancsó, K. Heinzinger, Chem. Phys. Lett. 1983, 98, 129-133.
-
(1983)
Chem. Phys. Lett.
, vol.98
, pp. 129-133
-
-
Bopp, P.1
Jancsó, G.2
Heinzinger, K.3
-
28
-
-
0012043056
-
-
G. D. Carney, L. A. Curtiss, S. R. Langhoff, J. Mol. Spectrosc. 1976, 61, 371-381.
-
(1976)
J. Mol. Spectrosc.
, vol.61
, pp. 371-381
-
-
Carney, G.D.1
Curtiss, L.A.2
Langhoff, S.R.3
-
29
-
-
0003442182
-
-
(Eds.: J. Labanowski, J. Andzelm), Springer, New York
-
D. R. Salahub, R. Fournier, P. Mlynarski, I. Papai, A. St-Amant, J. Ushio in Density Functional Methods in Chemistry (Eds.: J. Labanowski, J. Andzelm), Springer, New York, 1991.
-
(1991)
Density Functional Methods in Chemistry
-
-
Salahub, D.R.1
Fournier, R.2
Mlynarski, P.3
Papai, I.4
St-Amant, A.5
Ushio, J.6
-
32
-
-
0003754095
-
-
(Eds.: P. Ziesche, H. Eischrig), Akademie Verlag, Berlin
-
J. P. Perdew in Electronic Structure of Solids (Eds.: P. Ziesche, H. Eischrig), Akademie Verlag, Berlin, 1991.
-
(1991)
Electronic Structure of Solids
-
-
Perdew, J.P.1
-
33
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, C. Fiolhais, Phys. Rev. B 1992, 46, 6671.
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
34
-
-
0000572756
-
-
(Eds.: P. Diehl, E. Fluck, H. Günther, R. Kosfeld, J. Seelig), Springer, Heidelberg
-
W. Kutzelnigg, U. Fleischer, M. Schindler in Deuterium and Shift Calculation; NMR-Basic Principles and Progress, Vol. 23 (Eds.: P. Diehl, E. Fluck, H. Günther, R. Kosfeld, J. Seelig), Springer, Heidelberg, 1990.
-
(1990)
Deuterium and Shift Calculation; NMR-Basic Principles and Progress
, vol.23
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
36
-
-
84871008794
-
-
Revision B.2, Gaussian Pittsburgh PA
-
Gaussian 94, Revision B.2, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople ; Gaussian Pittsburgh PA, 1995.
-
(1995)
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.A.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.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
38
-
-
0001439269
-
-
J. F. Hinton, P. Guthrie, P. Pulay, K. Wolinski, J. Am. Chem. Soc. 1992, 114, 1604-1605.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 1604-1605
-
-
Hinton, J.F.1
Guthrie, P.2
Pulay, P.3
Wolinski, K.4
-
39
-
-
0013651681
-
-
K. Wolinski, C.-L. Hsu, J. F. Hinton, P. Pulay, J. Chem. Phys. 1993, 99, 7819-7824.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 7819-7824
-
-
Wolinski, K.1
Hsu, C.-L.2
Hinton, J.F.3
Pulay, P.4
-
42
-
-
84891297545
-
-
unpublished results
-
C. Maerker, P. von R. Schleyer, D. R. Salahub, O. L. Malkina, V. G. Malkin, unpublished results.
-
-
-
Maerker, C.1
Schleyer, P.V.R.2
Salahub, D.R.3
Malkina, O.L.4
Malkin, V.G.5
-
44
-
-
0000179164
-
-
V. G. Malkin, O. L. Malkina, D. R. Salahub, J. Am. Chem. Soc. 1995, 117, 3294-3295.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 3294-3295
-
-
Malkin, V.G.1
Malkina, O.L.2
Salahub, D.R.3
-
45
-
-
0042056415
-
-
T. B. Woolf, V. G. Malkin, O. L. Malkina, D. R. Salahub, B. Roux, Chem. Phys. Lett. 1995, 239, 186.
-
(1995)
Chem. Phys. Lett.
, vol.239
, pp. 186
-
-
Woolf, T.B.1
Malkin, V.G.2
Malkina, O.L.3
Salahub, D.R.4
Roux, B.5
-
46
-
-
84891286525
-
-
private communication
-
D. Case, private communication.
-
-
-
Case, D.1
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