-
7
-
-
0030172085
-
-
(b) Sreedhara Rao, V.; Vijay, A.; Chandra, A. K. Can J Chem 1996, 74, 1072;
-
(1996)
Can J Chem
, vol.74
, pp. 1072
-
-
Sreedhara Rao, V.1
Vijay, A.2
Chandra, A.K.3
-
19
-
-
0346591494
-
-
Maity, D. K.; Majumdar, D.; Bhattacharyya, S. P. J Mol Struct (Theochem) 1992, 276, 315.
-
(1992)
J Mol Struct (Theochem)
, vol.276
, pp. 315
-
-
Maity, D.K.1
Majumdar, D.2
Bhattacharyya, S.P.3
-
21
-
-
0010957206
-
-
Jones, D. M.; Kinsey, J. L.; Field, R. F. J Chem Phys 1989, 91, 3979.
-
(1989)
J Chem Phys
, vol.91
, pp. 3979
-
-
Jones, D.M.1
Kinsey, J.L.2
Field, R.F.3
-
22
-
-
0002644438
-
-
Ervin, K. M.; Ho, J.; Lineberger, J. C. J Chem Phys 1989, 91, 5974.
-
(1989)
J Chem Phys
, vol.91
, pp. 5974
-
-
Ervin, K.M.1
Ho, J.2
Lineberger, J.C.3
-
23
-
-
2042525558
-
-
Carrington, T.; Hubbard, L. M.; Schaefer, H. F., III; Miller, H. J Chem Phys 1984, 80, 4347.
-
(1984)
J Chem Phys
, vol.80
, pp. 4347
-
-
Carrington, T.1
Hubbard, L.M.2
Schaefer H.F. III3
Miller, H.4
-
25
-
-
0009690455
-
-
Bowman, J. M.; Gazdy, B.; Bontley, J. A.; Lee, T. J.; Dateo, C. E. J Chem Phys 1993, 99, 308.
-
(1993)
J Chem Phys
, vol.99
, pp. 308
-
-
Bowman, J.M.1
Gazdy, B.2
Bontley, J.A.3
Lee, T.J.4
Dateo, C.E.5
-
26
-
-
0004027485
-
-
Lee, T. J.; Dateo, C. E.; Gazdy, B.; Bowman, J. M. J Phys Chem 1993, 97, 8937.
-
(1993)
J Phys Chem
, vol.97
, pp. 8937
-
-
Lee, T.J.1
Dateo, C.E.2
Gazdy, B.3
Bowman, J.M.4
-
27
-
-
0041719192
-
-
Eriksson, L. A.; Lopez, X.; Boyd, R. J. J Phys Chem 1992, 97, 11693.
-
(1992)
J Phys Chem
, vol.97
, pp. 11693
-
-
Eriksson, L.A.1
Lopez, X.2
Boyd, R.J.3
-
28
-
-
26344435738
-
-
Schafer, A.; Horn, H.; Ahlrichs, R. J Chem Phys 1992, 92, 2571.
-
(1992)
J Chem Phys
, vol.92
, pp. 2571
-
-
Schafer, A.1
Horn, H.2
Ahlrichs, R.3
-
31
-
-
36849115659
-
-
Ditchfield, R.; Hehre, W. J.; Pople, J. A. J Chem Phys 1971, 54, 724; Hehre, W. J.; Lathan, W. H. J Chem Phys 1972, 56, 5625.
-
(1971)
J Chem Phys
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
32
-
-
4243855606
-
-
Ditchfield, R.; Hehre, W. J.; Pople, J. A. J Chem Phys 1971, 54, 724; Hehre, W. J.; Lathan, W. H. J Chem Phys 1972, 56, 5625.
-
(1972)
J Chem Phys
, vol.56
, pp. 5625
-
-
Hehre, W.J.1
Lathan, W.H.2
-
33
-
-
0347170005
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J Chem Phys 1972, 56, 2256; Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; Defrees, D. J.; Pople, J. A. J Chem Phys 1982, 77, 3654.
-
(1972)
J Chem Phys
, vol.56
, pp. 2256
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
34
-
-
33645949559
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J Chem Phys 1972, 56, 2256; Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; Defrees, D. J.; Pople, J. A. J Chem Phys 1982, 77, 3654.
-
(1982)
J Chem Phys
, vol.77
, pp. 3654
-
-
Francl, M.M.1
Pietro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
Defrees, D.J.6
Pople, J.A.7
-
35
-
-
0004133516
-
-
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. A.; 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, A.; 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. 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.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, A.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.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
36
-
-
0041719191
-
-
The basis sets of ref. 24 were obtained via the file transfer protocol from the directory 'tchibm3.chemie.unikarlsruhe.de' IP No. 129.13.107.186 using anonymous ftp
-
The basis sets of ref. 24 were obtained via the file transfer protocol from the directory 'tchibm3.chemie.unikarlsruhe.de' IP No. 129.13.107.186 using anonymous ftp.
-
-
-
-
37
-
-
4243564765
-
-
Pople, J. A.; Gordon, M. H.; Raghavachari, K. J Chem Phys 1987, 87, 5964.
-
(1987)
J Chem Phys
, vol.87
, pp. 5964
-
-
Pople, J.A.1
Gordon, M.H.2
Raghavachari, K.3
-
40
-
-
0042219525
-
-
QCPE, Exchange Package No. 455
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. Quantum Chemistry Exchange Program; QCPE, Exchange Package No. 455, 1985.
-
(1985)
Quantum Chemistry Exchange Program
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
|