-
2
-
-
0001074125
-
-
K. Möller, M. Winnewisser, G. Pawelke, and H. Bürger, J. Mol. Struct. 190, 343-355 (1988).
-
(1988)
J. Mol. Struct.
, vol.190
, pp. 343-355
-
-
Möller, K.1
Winnewisser, M.2
Pawelke, G.3
Bürger, H.4
-
3
-
-
0000951164
-
-
P. Groner, H. Nanaie, J. R. Durig, and D. D. DesMarteau, J. Chem. Phys. 89, 3983-3985 (1988).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 3983-3985
-
-
Groner, P.1
Nanaie, H.2
Durig, J.R.3
DesMarteau, D.D.4
-
4
-
-
0001684769
-
-
H. Bürger, R. Kuna, G. Pawelke, S. Sommer, and W. Thiel, Z. Naturforsch. A 47, 475-479 (1992).
-
(1992)
Z. Naturforsch. A
, vol.47
, pp. 475-479
-
-
Bürger, H.1
Kuna, R.2
Pawelke, G.3
Sommer, S.4
Thiel, W.5
-
8
-
-
85031236244
-
-
private communications
-
H. Bürger, private communications (2000).
-
(2000)
-
-
Bürger, H.1
-
9
-
-
0003024761
-
-
P. v. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner, Eds. Wiley, Chichester
-
A. G. Császár, in "The Encyclopedia of Computational Chemistry" (P. v. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner, Eds.), pp. 13-30. Wiley, Chichester, 1998.
-
(1998)
The Encyclopedia of Computational Chemistry
, pp. 13-30
-
-
Császár, A.G.1
-
12
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 156, 479-483 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 479-483
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
15
-
-
85031257338
-
-
note
-
INTDER is a general program developed by Wesley D. Allen and co-workers which performs various vibrational analyses and high-order nonlinear transformations among force field representations.
-
-
-
-
17
-
-
0001202028
-
-
W. D. Allen, A. G. Császár, V. Szalay, and I. M. Mills, Mol. Phys. 89, 1213-1221 (1996).
-
(1996)
Mol. Phys.
, vol.89
, pp. 1213-1221
-
-
Allen, W.D.1
Császár, A.G.2
Szalay, V.3
Mills, I.M.4
-
19
-
-
0001136801
-
-
K. Narahari Rao and C. W. Mathews, Eds. Academic Press, San Diego
-
I. M. Mills, in "Molecular Spectroscopy: Modern Research" (K. Narahari Rao and C. W. Mathews, Eds.), Vol. 1, pp.115-140. Academic Press, San Diego, 1972.
-
(1972)
Molecular Spectroscopy: Modern Research
, vol.1
, pp. 115-140
-
-
Mills, I.M.1
-
21
-
-
85031248285
-
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions of R. D. Amos, A. Bernhardsson, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions of R. D. Amos, A. Bernhardsson, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson.
-
-
-
-
22
-
-
85031256817
-
-
GAMESS-UK is a package of ab initio programs written by M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy, I. H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrison, A. P. Rendell, V. R. Saunders, A. J. Stone, D. J. Tozer, and A. H. de Vries. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler, and J. Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980
-
GAMESS-UK is a package of ab initio programs written by M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy, I. H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrison, A. P. Rendell, V. R. Saunders, A. J. Stone, D. J. Tozer, and A. H. de Vries. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler, and J. Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980.
-
-
-
-
23
-
-
0002385077
-
-
J. M. Bowman, Ed. JAI Press, Greenwich, CT
-
J. F. Gaw, A. Willetts, W. H. Green, and N. C. Handy, in "Advances in molecular vibrations and collision dynamics" (J. M. Bowman, Ed.), pp.169-185. JAI Press, Greenwich, CT, 1990.
-
(1990)
Advances in Molecular Vibrations and Collision Dynamics
, pp. 169-185
-
-
Gaw, J.F.1
Willetts, A.2
Green, W.H.3
Handy, N.C.4
-
24
-
-
0020843873
-
-
P. Pulay, G. Fogarasi, G. Pongor, J. E. Boggs, and A. Vargha, J. Am. Chem. Soc. 105, 7037-7047 (1983).
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7037-7047
-
-
Pulay, P.1
Fogarasi, G.2
Pongor, G.3
Boggs, J.E.4
Vargha, A.5
-
26
-
-
0000773078
-
-
R. Tarroni, P. Palmieri, M. M. Hühn, and N. C. Handy, Chem. Phys. Lett. 207, 195-202 (1993).
-
(1993)
Chem. Phys. Lett.
, vol.207
, pp. 195-202
-
-
Tarroni, R.1
Palmieri, P.2
Hühn, M.M.3
Handy, N.C.4
-
27
-
-
21844490489
-
-
P. Palmieri, R. Tarroni, M. M. Hühn, N. C. Handy, and A. Willetts, Chem. Phys. 190, 327-344 (1995).
-
(1995)
Chem. Phys.
, vol.190
, pp. 327-344
-
-
Palmieri, P.1
Tarroni, R.2
Hühn, M.M.3
Handy, N.C.4
Willetts, A.5
|