-
3
-
-
0029899187
-
-
Cotarca, L.; Delogu, P.; Nardelli, A.; Sunjic, V. Synthesis 1996, 5, 553-576.
-
(1996)
Synthesis
, vol.5
, pp. 553-576
-
-
Cotarca, L.1
Delogu, P.2
Nardelli, A.3
Sunjic, V.4
-
4
-
-
0030852233
-
-
Curioni, A.; Sprik, M.; Andreoni, W.; Schiffer, H.; Hutter, J.; Parrinello, M. J. Am. Chem. Soc. 1997, 119, 7218-29.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 7218-7229
-
-
Curioni, A.1
Sprik, M.2
Andreoni, W.3
Schiffer, H.4
Hutter, J.5
Parrinello, M.6
-
6
-
-
0012822759
-
-
Fayetteville, AR. PQS version 2.1
-
Parallel Quantum Solutions, Fayetteville, AR. PQS version 2.1, 1999.
-
(1999)
Parallel Quantum Solutions
-
-
-
7
-
-
0004133516
-
-
GAUSSIAN94, 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-Lahman, 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.; 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, Revision E.3. GAUSSIAN94, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision E.3
-
-
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-Lahman, 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.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..
-
8
-
-
0345326988
-
-
note
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from R. D. Amos, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, T. Leininger, R. Lindh, A. W. Lloyd, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, K. Peterson, R. Pitzer, P. Pulay, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, and T. Thorsteinsson.
-
-
-
-
9
-
-
0002745201
-
-
and references therein
-
Hampel, C.; Peterson, K.; Werner, H. J. Chem. Phys. Lett. 1991, 190, 1 and references therein. The program to compute perturbative triples corrections has been developed by M. J. O. Deegan and P. J. Knowles, 1992.
-
(1991)
Chem. Phys. Lett.
, vol.190
, pp. 1
-
-
Hampel, C.1
Peterson, K.2
Werner, H.J.3
-
14
-
-
0006496798
-
-
Mansson, M.; Morawetz, E.; Nakase, Y.; Sunner, S. Acta Chem. Scand. 1969, 23, 56-60.
-
(1969)
Acta Chem. Scand.
, vol.23
, pp. 56-60
-
-
Mansson, M.1
Morawetz, E.2
Nakase, Y.3
Sunner, S.4
-
18
-
-
0026237635
-
-
Aldridge, H. K.; Liu, X.; Lin, M. C. Int. J. Chem. Kinet. 1991, 23, 947.
-
(1991)
Int. J. Chem. Kinet.
, vol.23
, pp. 947
-
-
Aldridge, H.K.1
Liu, X.2
Lin, M.C.3
-
23
-
-
37049049209
-
-
Hogg, W.; McKinnon, D. M.; Trotman-Dickenson, A. F.; Verbeke, G. J. O. J. Chem. Soc. 1961, 1403-4.
-
(1961)
J. Chem. Soc.
, pp. 1403-1404
-
-
Hogg, W.1
McKinnon, D.M.2
Trotman-Dickenson, A.F.3
Verbeke, G.J.O.4
-
25
-
-
0001470765
-
-
Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 560
-
-
Godbout, N.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
|