-
1
-
-
1542580845
-
-
This volume. Fast_Structure is a precursor to the FastStruct/SimmAnn module marketed by Biosym/MSI, San Diego, CA 92121
-
Li, X.P.; Andzelm, J.; Harris, J.; Chaka, A.M. "A Fast Density Functional Method For Chemistry". This volume. Fast_Structure is a precursor to the FastStruct/SimmAnn module marketed by Biosym/MSI, San Diego, CA 92121.
-
A Fast Density Functional Method for Chemistry
-
-
Li, X.P.1
Andzelm, J.2
Harris, J.3
Chaka, A.M.4
-
3
-
-
1542685615
-
-
Pople, J.A.; Binkley, J.S.; Seeger, R. Int. J. Quant. Chem. 1984, 5, 280.
-
(1984)
Int. J. Quant. Chem.
, vol.5
, pp. 280
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
5
-
-
0011201765
-
-
IBM Corporation, Neighborhood Road, Kingston, NY 12401
-
Dupuis, M.; Marquez, A.; Davidson, E.R. HONDO 94.8,1994, IBM Corporation, Neighborhood Road, Kingston, NY 12401.
-
(1994)
HONDO 94.8
-
-
Dupuis, M.1
Marquez, A.2
Davidson, E.R.3
-
6
-
-
34447260582
-
-
Delley, B. J. Chem. Phys. 1990, 92, 508; DMol Version 2.3.5 (1993), Biosym/MSI, San Diego., CA 92121
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 508
-
-
Delley, B.1
-
7
-
-
34447260582
-
-
Biosym/MSI, San Diego., CA 92121
-
Delley, B. J. Chem. Phys. 1990, 92, 508; DMol Version 2.3.5 (1993), Biosym/MSI, San Diego., CA 92121
-
(1993)
DMol Version 2.3.5
-
-
-
8
-
-
1542685614
-
-
Vosko, S.H.; Wilk, L.; Nusair, M. Can. J. Chem. 1980, 5, 1629.
-
(1980)
Can. J. Chem.
, vol.5
, pp. 1629
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
10
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
11
-
-
0003568278
-
-
Shaefer, H.F., Ed.; Plenum Press: New York
-
Dunning, T.H.; Hay, P.J. In Modern Theoretical Chemistry; Shaefer, H.F., Ed.; Plenum Press: New York, 1975; Vol. 2.
-
(1975)
Modern Theoretical Chemistry
, vol.2
-
-
Dunning, T.H.1
Hay, P.J.2
-
13
-
-
36849103653
-
-
Wimmewisser, G.; Wimmemisser, M.; Gordy, W. J. Chem. Phys. 1968, 49, 3465-3478
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 3465-3478
-
-
Wimmewisser, G.1
Wimmemisser, M.2
Gordy, W.3
-
20
-
-
33744686211
-
-
Delley, B.; Wrinn, M.; Luthi, H.P. J. Chem. Phys. 1994, 100, 5785-5791.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5785-5791
-
-
Delley, B.1
Wrinn, M.2
Luthi, H.P.3
-
23
-
-
0000535864
-
-
Mackle, H. Tetrahedron 1963, 19, 1159-1170.
-
(1963)
Tetrahedron
, vol.19
, pp. 1159-1170
-
-
Mackle, H.1
-
27
-
-
1542580843
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-
note
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2 bond dissociation energies.
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-
-
-
28
-
-
0011753714
-
-
Tobolsky, A.V, Ed.; Interscience Publishers; John Wiley & Sons: New York, NY
-
Pickering, T.L.; Saunders, K.J.; Tobolsky, A.V. In The Chemistry of Sulfides; Tobolsky, A.V, Ed.; Interscience Publishers; John Wiley & Sons: New York, NY, 1968, pp. 61-72
-
(1968)
The Chemistry of Sulfides
, pp. 61-72
-
-
Pickering, T.L.1
Saunders, K.J.2
Tobolsky, A.V.3
-
29
-
-
0343964100
-
-
Gee, G.; Fairbrother, F.; Merrall, G.T. J. Polymer Sci. 1955, 16, 459.
-
(1955)
J. Polymer Sci.
, vol.16
, pp. 459
-
-
Gee, G.1
Fairbrother, F.2
Merrall, G.T.3
-
31
-
-
1542685612
-
-
Ph.D. Thesis, Princeton
-
Pickering, T.L. Ph.D. Thesis, Princeton 1966.
-
(1966)
-
-
Pickering, T.L.1
-
32
-
-
0011735872
-
-
Kende, I.; Pickering, T.L.; Tobolsky, A.V. J. Am. Chem. Soc. 1965, 87, 5582.
-
(1965)
J. Am. Chem. Soc.
, vol.87
, pp. 5582
-
-
Kende, I.1
Pickering, T.L.2
Tobolsky, A.V.3
-
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note
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Experiments performed in our laboratories.
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Biosym/MSI, San Diego, CA 92121
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InsightII, Version 2.3.5, Biosym/MSI, San Diego, CA 92121.
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InsightII, Version 2.3.5
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