-
1
-
-
0038758705
-
-
Del Bene, J. E.; Perera, S. A.; Bartlett, R. J.; Yañez, M.; Mó, O.; Elguero, J.; Alkorta, I. J. Phys. Chem. A 2003, 107, 3121.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 3121
-
-
Del Bene, J.E.1
Perera, S.A.2
Bartlett, R.J.3
Yañez, M.4
Mó, O.5
Elguero, J.6
Alkorta, I.7
-
4
-
-
84986444438
-
-
Pople, J. A.; Binkley, J. S.; Seeger, R. Int. J. Quantum Chem., Quantum Chem. Symp. 1976, 10, 1.
-
(1976)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.10
, pp. 1
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
6
-
-
0347170005
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1982, 56, 2257.
-
(1982)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
8
-
-
0001540904
-
-
Spitznagel, G. W.; Clark, T.; Chandrasekhar, J.; Schleyer, P. v. R. J. Comput. Chem. 1983, 3, 3633.
-
(1983)
J. Comput. Chem.
, vol.3
, pp. 3633
-
-
Spitznagel, G.W.1
Clark, T.2
Chandrasekhar, J.3
Schleyer, P.V.R.4
-
9
-
-
84986468715
-
-
Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. v. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
11
-
-
0542388793
-
-
Perera, S. A.; Sekino, H.; Bartlett, R. J. J. Chem. Phys. 1994, 101, 2186.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 2186
-
-
Perera, S.A.1
Sekino, H.2
Bartlett, R.J.3
-
12
-
-
0001741543
-
-
Perera, S. A.; Nooijen, M.; Bartlett, R. J. J. Chem. Phys. 1996, 104, 3290.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 3290
-
-
Perera, S.A.1
Nooijen, M.2
Bartlett, R.J.3
-
15
-
-
26344435738
-
-
Schäfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571
-
-
Schäfer, A.1
Horn, H.2
Ahlrichs, R.3
-
18
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
19
-
-
0003646547
-
-
University of Florida, Integral packages included are VMOL (Almlof, J.; Taylor, P. R.); VPROPS (Taylor, P. R.); ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jorgensen, P.; Olsen, J.; Taylor, P. R.). Brillouin - Wigner perturbation theory was implement by Pittner, J.
-
ACES II, Quantum Theory Project, University of Florida, Stanton, J. F.; Gauss, J.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Perera, S. A.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.; Balkova, A.; Bernholdt, D. E.; Baeck, K.-K.; Tozyczko, P.; Sekino, H.; Huber, C.; Bartlett, R. J. Integral packages included are VMOL (Almlof, J.; Taylor, P. R.); VPROPS (Taylor, P. R.); ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jorgensen, P.; Olsen, J.; Taylor, P. R.). Brillouin - Wigner perturbation theory was implement by Pittner, J.
-
ACES II, Quantum Theory Project
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Nooijen, M.4
Oliphant, N.5
Perera, S.A.6
Szalay, P.G.7
Lauderdale, W.J.8
Gwaltney, S.R.9
Beck, S.10
Balkova, A.11
Bernholdt, D.E.12
Baeck, K.-K.13
Tozyczko, P.14
Sekino, H.15
Huber, C.16
Bartlett, R.J.17
-
21
-
-
0542439733
-
-
Dyke, T. R.; Howard, B. J.; Klemperer, W. J. Chem. Phys. 1969, 56, 2442.
-
(1969)
Chem. Phys.
, vol.56
, pp. 2442
-
-
Dyke, T.R.1
Howard, B.J.2
Klemperer, W.J.3
-
24
-
-
0038079649
-
-
in press
-
Del Bene, J. E.; Perera, S. A.; Bartlett, R. J.; Yañez, M; Mó, O.; Elguero, J.; Alkorta, I. J. Phys. Chem. A (in press).
-
J. Phys. Chem. A
-
-
Del Bene, J.E.1
Perera, S.A.2
Bartlett, R.J.3
Yañez, M.4
Mó, O.5
Elguero, J.6
Alkorta, I.7
-
26
-
-
0035822234
-
-
Chapman, K.; Crittenden, D.; Bevitt, J.; Jordan, M. J. T.; Del Bene, J. E. J. Chem. Phys. A 2001, 105, 5442.
-
(2001)
J. Chem. Phys. A
, vol.105
, pp. 5442
-
-
Chapman, K.1
Crittenden, D.2
Bevitt, J.3
Jordan, M.J.T.4
Del Bene, J.E.5
|