-
3
-
-
0020843873
-
-
(c) Pulay, P.; Fogarasi, G.; Pongor, G.; Boggs, J. E.; Vargha, A. J. Am. Chem. Soc. 1983, 105, 7037.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7037
-
-
Pulay, P.1
Fogarasi, G.2
Pongor, G.3
Boggs, J.E.4
Vargha, A.5
-
4
-
-
0003039771
-
-
Fausto, R., Ed.; Kluwer Academic Publishers: Netherlands
-
(d) Pulay, P.; Zhou, X.; Fogarasi, G. In Recent Experimental and Computational Advances in Molecular Spectroscopy; Fausto, R., Ed.; Kluwer Academic Publishers: Netherlands. 1993; p 99.
-
(1993)
Recent Experimental and Computational Advances in Molecular Spectroscopy
, pp. 99
-
-
Pulay, P.1
Zhou, X.2
Fogarasi, G.3
-
5
-
-
0002171335
-
-
(a) Hameka, H. F.; Famini, G. R.; Jensen, J. O.; Newhouse, E. I. Gov. Rep. Announce Index 1990, 90, 13.
-
(1990)
Gov. Rep. Announce Index
, vol.90
, pp. 13
-
-
Hameka, H.F.1
Famini, G.R.2
Jensen, J.O.3
Newhouse, E.I.4
-
6
-
-
0002528240
-
-
(b) Hameka, H. F.; Famini, G. R.; Jensen, J. O.; Jensen, J. L. Gov. Rep. Announce Index 1991, 91, 15.
-
(1991)
Gov. Rep. Announce Index
, vol.91
, pp. 15
-
-
Hameka, H.F.1
Famini, G.R.2
Jensen, J.O.3
Jensen, J.L.4
-
8
-
-
84871008794
-
-
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. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94: Gaussian, Inc.: 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.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..
-
9
-
-
0004314823
-
-
Semichem Inc.: 7128 Summit, Shawnee KS 66216
-
Holder, A. J. AMPAC 5.0; Semichem Inc.: 7128 Summit, Shawnee KS 66216, 1994.
-
(1994)
J. AMPAC 5.0
-
-
Holder, A.1
-
10
-
-
0027223591
-
-
Dewar, M. J. S.; Jie, C.; Yu, J. Tetrahedron 1993, 49, 23, 5003.
-
(1993)
J. Tetrahedron
, vol.49
, pp. 23
-
-
Dewar, M.J.S.1
Jie, C.2
-
11
-
-
16444375810
-
-
Johnson, B. G.; Gill, P. M. W.; Pople, J. A. J. Chem. Phys. 1993, 98, 7, 5612.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 75612
-
-
Johnson, B.G.1
Gill, P.M.W.2
Pople, J.A.3
-
14
-
-
0000189651
-
-
Becke, A. D. J. Chem. Phys. 1992, 97, 9173; 1993, 98, 5648.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
-
15
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
16
-
-
5944261746
-
-
Perdew, J. P. Phys. Rev. 1986, B33, 8822; B34, 7406 (E).
-
(1986)
Phys. Rev.
, vol.B33
, pp. 8822
-
-
Perdew, J.P.1
-
17
-
-
5944261746
-
-
E
-
Perdew, J. P. Phys. Rev. 1986, B33, 8822; B34, 7406 (E).
-
Phys. Rev.
, vol.B34
, pp. 7406
-
-
-
19
-
-
23244460838
-
-
(b) Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. 1992, B46, 6671.
-
(1992)
Phys. Rev.
, vol.B46
, 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
-
22
-
-
25044448337
-
-
Handy, N. C.; Maslen, P. E.; Amos, R. D.; Andrews, J. S.; Murray, C. W.; Laming, G. J. Chem. Phys. Lett. 1992, 197, 4-5, 506.
-
(1992)
Chem. Phys. Lett.
, vol.197
, pp. 4-5
-
-
Handy, N.C.1
Maslen, P.E.2
Amos, R.D.3
Andrews, J.S.4
Murray, C.W.5
Laming, G.J.6
-
23
-
-
33751499022
-
-
Goodman, L.; Ozkabak, A. G.; Thakur, S. N. J. Phys. Chem. 1991, 95, 23, 9044.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 23
-
-
Goodman, L.1
Ozkabak, A.G.2
Thakur, S.N.3
-
25
-
-
0000922212
-
-
(b) Thakur, S. N.; Goodman, L.; Ozkabak, A. G. J. Chem. Phys. 1986, 84, 12, 6642.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 12
-
-
Thakur, S.N.1
Goodman, L.2
Ozkabak, A.G.3
-
27
-
-
84986436003
-
-
Coolidge, M. B.; Marlin, J. E.; Stewart, J. P. J. Comput. Chem. 1991, 12, 8, 948.
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 8
-
-
Coolidge, M.B.1
Marlin, J.E.2
Stewart, J.P.3
-
30
-
-
0344297899
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Replogle, E. Chem. Phys. Lett. 1989, 158, 207.
-
(1989)
Chem. Phys. Lett.
, vol.158
, pp. 207
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Replogle, E.4
-
34
-
-
0002851453
-
-
(c) Alcolea Palafox, M.; Gil, M.; Núñez, J. L. Appl. Spectrsoc. 1993, 48, 1, 27; Vib. Spectrosc. 1993, 6, 95.
-
(1993)
Appl. Spectrsoc.
, vol.48
, pp. 1
-
-
Alcolea Palafox, M.1
Gil, M.2
Núñez, J.L.3
-
35
-
-
0043145609
-
-
(c) Alcolea Palafox, M.; Gil, M.; Núñez, J. L. Appl. Spectrsoc. 1993, 48, 1, 27; Vib. Spectrosc. 1993, 6, 95.
-
(1993)
Vib. Spectrosc.
, vol.6
, pp. 95
-
-
-
37
-
-
0043145596
-
-
(d) Alcolea Palafox, M. Spectrosc. Lett. 1994, 27, 5, 613; Vib. Spectrosc. 1994, 6, 149.
-
(1994)
Vib. Spectrosc.
, vol.6
, pp. 149
-
-
-
40
-
-
84916774028
-
-
(a) Sanchez de la Blanca, E.; Núñez, J. L.; Martinez, P. An. Quim. Ser. A 1986, 82, 3, 480.
-
(1986)
An. Quim. Ser. A
, vol.82
, pp. 3
-
-
Sanchez de la Blanca, E.1
Núñez, J.L.2
Martinez, P.3
-
41
-
-
85034147572
-
-
Thesis, Universidad Complutense, Madrid
-
(b) Sanchez de la Blanca. E. Ph.D. Thesis, Universidad Complutense, Madrid 1986.
-
(1986)
-
-
Sanchez de la Blanca, E.1
-
42
-
-
0042143717
-
-
Rastogi, V. K.; Alcolea Palafox, M.; Singh, S.; Singhal, S. K. Asian J. Phys. 1998, 7, 2, 229.
-
(1998)
Asian J. Phys.
, vol.7
, pp. 2
-
-
Rastogi, V.K.1
Alcolea Palafox, M.2
Singh, S.3
Singhal, S.K.4
-
45
-
-
49649141790
-
-
(b) Durig, J. R.; Hellams, K. L.; Mulligan, J. H. Spectrochim. Acta 1972, 28A, 1039.
-
(1972)
Spectrochim. Acta
, vol.28 A
, pp. 1039
-
-
Durig, J.R.1
Hellams, K.L.2
Mulligan, J.H.3
-
46
-
-
0041713922
-
-
Higgins, J.; Zhou, X.; Liu, R. Spectrochim. Acta 1997, 53A, 721.
-
(1997)
Spectrochim. Acta
, vol.53 A
, pp. 721
-
-
Higgins, J.1
Zhou, X.2
Liu, R.3
|