-
2
-
-
0009333621
-
-
Liebman, J. F., Greenberg, A., Ed.; VCH: New York
-
Gordon, M. S. In Molecular Structure and Energetics; Liebman, J. F., Greenberg, A., Ed.; VCH: New York, 1986; Vol. 1, pp 101-122.
-
(1986)
Molecular Structure and Energetics
, vol.1
, pp. 101-122
-
-
Gordon, M.S.1
-
3
-
-
0000834983
-
-
Baldridge, K. K.; Boatz, J. A.; Koseki, S.; Gordon, M. S. Ann. Rev. Phys. Chem. 1987, 38, 211.
-
(1987)
Ann. Rev. Phys. Chem.
, vol.38
, pp. 211
-
-
Baldridge, K.K.1
Boatz, J.A.2
Koseki, S.3
Gordon, M.S.4
-
4
-
-
0001447380
-
-
DeKock, R. L.; Yates, B. F.; Schaefer, H. F. Inorg. Chem. 1989, 28, 1680.
-
(1989)
Inorg. Chem.
, vol.28
, pp. 1680
-
-
DeKock, R.L.1
Yates, B.F.2
Schaefer, H.F.3
-
5
-
-
33847089396
-
-
Lembke, R. R.; Ferrante, R. F.; Weltner, W., Jr. J. Am. Chem. Soc. 1977, 99, 416.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 416
-
-
Lembke, R.R.1
Ferrante, R.F.2
Weltner Jr., W.3
-
7
-
-
0000833280
-
-
Iraqi, M.; Goldberg, N.; Schwarz, H. J. Phys. Chem. 1993, 97, 11371.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 11371
-
-
Iraqi, M.1
Goldberg, N.2
Schwarz, H.3
-
8
-
-
3042552107
-
-
Goldberg, N.; Iraqi, M.; Schwarz, H.; Boldyrev, A.; Simons, J. J. Chem. Phys. 1994, 101, 2871.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 2871
-
-
Goldberg, N.1
Iraqi, M.2
Schwarz, H.3
Boldyrev, A.4
Simons, J.5
-
9
-
-
36549101311
-
-
Lee, T. J.; Fox, D. J.; Schaefer, H. F.; Pitzer, R. M. J. Chem. Phys. 1984, 81, 356.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 356
-
-
Lee, T.J.1
Fox, D.J.2
Schaefer, H.F.3
Pitzer, R.M.4
-
10
-
-
0002278431
-
-
Guelin, M.; Cernicharo, J.; Kahane, C.; Gomez-Gonzalez, J. Astron. Astrophys. 1986, 157, L17.
-
(1986)
Astron. Astrophys.
, vol.157
-
-
Guelin, M.1
Cernicharo, J.2
Kahane, C.3
Gomez-Gonzalez, J.4
-
13
-
-
0001869942
-
-
Schaefer, H. F., Ed.; Plenum: New York
-
Dunning, T. H.; Hay, P. J. In Modern Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum: New York, 1977; Vol. 3, pp 1-27.
-
(1977)
Modern Theoretical Chemistry
, vol.3
, pp. 1-27
-
-
Dunning, T.H.1
Hay, P.J.2
-
15
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
17
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN 92, Revision C; Gaussian, Inc.: Pittsburgh, PA, 1992.
-
(1992)
GAUSSIAN 92, Revision C
-
-
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..
-
20
-
-
0011402042
-
-
Bolton, E. E.; DeLeeuw, B. J.; Fowler, J. E.; Grev, R. S.; Schaefer, H. F. J. Chem. Phys. 1992, 97, 5586.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 5586
-
-
Bolton, E.E.1
DeLeeuw, B.J.2
Fowler, J.E.3
Grev, R.S.4
Schaefer, H.F.5
-
23
-
-
33748481326
-
-
Rankin, D. W.; Robiette, A. G.; Sheldrick, G. M.; Sheldrick, W. S.; Aylett, B. J.; Ellis, I. A.; Monaghan, J. J. J. Chem. Soc. A 1990, 1224.
-
(1990)
J. Chem. Soc. A
, vol.1224
-
-
Rankin, D.W.1
Robiette, A.G.2
Sheldrick, G.M.3
Sheldrick, W.S.4
Aylett, B.J.5
Ellis, I.A.6
Monaghan, J.J.7
-
24
-
-
0001619570
-
-
Luke, B. T.; Pople, J. A.; Krogh-Jespersen, M.; Apeloig, Y.; Chandrasekhar, J.; Schleyer, P. v. R. J. Am. Chem. Soc. 1986, 108, 260.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 260
-
-
Luke, B.T.1
Pople, J.A.2
Krogh-Jespersen, M.3
Apeloig, Y.4
Chandrasekhar, J.5
Schleyer, P.V.R.6
-
26
-
-
36549094629
-
-
DeKock, R. L.; Grev, R. S.; Schaefer, H. F. J. Chem. Phys. 1988, 89, 3016.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 3016
-
-
DeKock, R.L.1
Grev, R.S.2
Schaefer, H.F.3
-
30
-
-
0000716777
-
-
Martin, J. M. L.; Taylor, P. R.; François, J. P.; Gijbels, R. Chem. Phys. Lett. 1994, 226, 475.
-
(1994)
Chem. Phys. Lett.
, vol.226
, pp. 475
-
-
Martin, J.M.L.1
Taylor, P.R.2
François, J.P.3
Gijbels, R.4
-
32
-
-
33745999103
-
-
Kafafi, Z. H.; Hauge, R. H.; Fredin, L.; Margrave, J. L. J. Phys. Chem. 1983, 87, 797.
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 797
-
-
Kafafi, Z.H.1
Hauge, R.H.2
Fredin, L.3
Margrave, J.L.4
-
34
-
-
0001634181
-
-
Beagley, B.; Conrad, A. R.; Freeman, J. M.; Monaghan, J. J.; Norton, J. J. Mol. Struct. 1972, 11, 371.
-
(1972)
J. Mol. Struct.
, vol.11
, pp. 371
-
-
Beagley, B.1
Conrad, A.R.2
Freeman, J.M.3
Monaghan, J.J.4
Norton, J.5
-
38
-
-
33748481957
-
-
Chem. Phys. Lett. 1994, 222, 615.
-
(1994)
Chem. Phys. Lett.
, vol.222
, pp. 615
-
-
-
39
-
-
36448998619
-
-
Anderson, K.; Malmqvist, P.-A.; Roos, B. O. J. Chem. Phys. 1992, 96, 1218,
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1218
-
-
Anderson, K.1
Malmqvist, P.-A.2
Roos, B.O.3
-
43
-
-
33748491470
-
-
To be published
-
Kishi, R.; Gomei, M.; Nakajima, A.; Iwata, S.; Kaya, K. To be published.
-
-
-
Kishi, R.1
Gomei, M.2
Nakajima, A.3
Iwata, S.4
Kaya, K.5
-
44
-
-
28244499779
-
-
Boldyrev, A. I.; Simons, J.; Zakrzewski, V. G.; von Niessen, W. J. Phys. Chem. 1994, 98, 1427.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1427
-
-
Boldyrev, A.I.1
Simons, J.2
Zakrzewski, V.G.3
Von Niessen, W.4
-
46
-
-
0010562122
-
-
Gerhold, G.; McMurchie, L. E.; Tye, T. Am. J. Phys. 1972, 40, 988.
-
(1972)
Am. J. Phys.
, vol.40
, pp. 988
-
-
Gerhold, G.1
McMurchie, L.E.2
Tye, T.3
-
47
-
-
3042988692
-
-
Clementi, E., Ed.; Escom: Leiden, The Netherlands
-
The MELD code was originally developed by E. R. Davidson, S. R. Langhoff, S. T. Elbert, and L. E. McMurchie with subsequent extensive modifications by D. Feller and D. C. Rawlings. For a description of the code, see: Davidson, E. R. In Modern Techniques in Computational Chemistry: MOTTEC-91; Clementi, E., Ed.; Escom: Leiden, The Netherlands, 1991; p 381.
-
(1991)
Modern Techniques in Computational Chemistry: MOTTEC-91
, pp. 381
-
-
Davidson, E.R.1
|