-
9
-
-
0010819371
-
-
R. J. Abraham, D. J. Chadwick, L. Griffiths, and F. Sancassan, J. Am. Chem. Soc. 102, 5128(1980).
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 5128
-
-
Abraham, R.J.1
Chadwick, D.J.2
Griffiths, L.3
Sancassan, F.4
-
14
-
-
0008071377
-
-
A. R. Potts, D. R. Nesselrodt, T. Baer, J. W. Driscoll, and J. P. Bays, J. Phys. Chem. 99, 12090 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 12090
-
-
Potts, A.R.1
Nesselrodt, D.R.2
Baer, T.3
Driscoll, J.W.4
Bays, J.P.5
-
15
-
-
2542625553
-
-
edited by T. A. Miller and V. E. Bondybey North Holland, Amsterdam
-
R. C. Dunbar, in Molecular Ions: Spectroscopy, Structure, and Chemistry, edited by T. A. Miller and V. E. Bondybey (North Holland, Amsterdam, 1983), p. 231.
-
(1983)
Molecular Ions: Spectroscopy, Structure, and Chemistry
, pp. 231
-
-
Dunbar, R.C.1
-
18
-
-
33645726396
-
-
note
-
PCMODEL for WINDOWS (Serena Software, Bloomington, IN, 1994). The MMX force field is an extension of N. L. Allinger's MM2 (QCPE-395, 1977) force field and includes pi routines from his MMP1 (QCPE-318). Change were made by J. J. Gajewski and K. E. Gilbert (1994).
-
-
-
-
20
-
-
85005470381
-
-
J. A. Pople, A. P. Scott, M. W. Wong, and L. Radom, Isr. J. Chem. 33, 345 (1993).
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 345
-
-
Pople, J.A.1
Scott, A.P.2
Wong, M.W.3
Radom, L.4
-
21
-
-
0344142453
-
-
P. L. Polavarapu, T. M. Black, L. D. Barron, and L. Hecht, J. Am. Chem. Soc. 115, 7736 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 7736
-
-
Polavarapu, P.L.1
Black, T.M.2
Barron, L.D.3
Hecht, L.4
-
22
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA
-
GAUSSIAN 92, Revision A, M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian Inc., Pittsburgh, PA, 1992.
-
(1992)
GAUSSIAN 92, Revision A
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
23
-
-
0003399528
-
-
Wiley, New York
-
W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab Initia Molecular Orbital Theory (Wiley, New York, 1986).
-
(1986)
Ab Initia Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
25
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA
-
GAUSSIAN 94, Revision C.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN 94, Revision C.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.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, 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..
-
26
-
-
0003158036
-
-
edited by G. Scoles Oxford University Press, New York
-
D. R. Miller, in Atomic and Molecular Beam Methods, edited by G. Scoles (Oxford University Press, New York, 1988), p. 14.
-
(1988)
Atomic and Molecular Beam Methods
, pp. 14
-
-
Miller, D.R.1
-
28
-
-
0001241949
-
-
N. J. B. Green, P. J. Marchant, M. J. Perona, M. J. Piling, and S. H. Robertson, J. Chem. Phys. 96, 5896 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 5896
-
-
Green, N.J.B.1
Marchant, P.J.2
Perona, M.J.3
Piling, M.J.4
Robertson, S.H.5
-
33
-
-
0000945584
-
-
K. Gundertofte, T. Liljefors, P. O. Norrby, and I. Pettersson, J. Comp Chem. 17, 429 (1996).
-
(1996)
J. Comp Chem.
, vol.17
, pp. 429
-
-
Gundertofte, K.1
Liljefors, T.2
Norrby, P.O.3
Pettersson, I.4
-
35
-
-
0001194751
-
-
L. A. Curtiss, K. Raghavachari, G. W. Tmcks, and J. A. Pople, J. Chem. Phys. 9-4, 7221 (1991).
-
(1991)
J. Chem. Phys.
, vol.9
, Issue.4
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Tmcks, G.W.3
Pople, J.A.4
|