-
1
-
-
36849141759
-
-
J. Drowart, G. DeMaria, R. P. Burns, and M. G. Inghram, J. Chem. Phys. 32, 1366 (1960).
-
(1960)
J. Chem. Phys.
, vol.32
, pp. 1366
-
-
Drowart, J.1
-
2
-
-
0000365715
-
-
A. Buchler, J. L. Stauffer, W. Klemperer, and L. Wharton, J. Chem. Phys. 39, 2299 (1963).
-
(1963)
J. Chem. Phys.
, vol.39
, pp. 2299
-
-
Buchler, A.1
-
7
-
-
0043253635
-
-
D. A. Lynch, M. J. Zehe, and K. D. Carlson, J. Phys. Chem. 78, 236 (1974).
-
(1974)
J. Phys. Chem.
, vol.78
, pp. 236
-
-
Lynch, D.A.1
-
9
-
-
0000337474
-
-
L. Andrews, T. R. Burkholder, and J. T. Yustein, J. Phys. Chem. 96, 10182 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 10182
-
-
Andrews, L.1
-
10
-
-
0000438298
-
-
S. M. Sonchik, L. Andrews, and K. D. Carlson, J. Phys. Chem. 87, 2004 (1983).
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 2004
-
-
Sonchik, S.M.1
-
11
-
-
0001908561
-
-
M. Cai, C. C. Carter, T. A. Miller, and V. E. Bondybey, J. Chem. Phys. 95, 73 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 73
-
-
Cai, M.1
-
15
-
-
84986435995
-
-
L. P. Davis, R. M. Guidry, J. R. Williams, M. J. S. Dewar, and H. S. Rzepa, J. Comput. Chem. 2, 433 (1981).
-
(1981)
J. Comput. Chem.
, vol.2
, pp. 433
-
-
Davis, L.P.1
-
17
-
-
0003438540
-
-
Cornell University Press, Ithaca, N.Y. see Fig. 3.8
-
L. Pauling, The Nature of the Chemical Bond (Cornell University Press, Ithaca, N.Y., 1960), see Fig. 3.8.
-
(1960)
The Nature of the Chemical Bond
-
-
Pauling, L.1
-
18
-
-
4243302414
-
-
J. Masip, A. Clotet, J. M. Ricart, F. Illas, and J. Rubio, Chem. Phys. Lett. 144, 373 (1988).
-
(1988)
Chem. Phys. Lett.
, vol.144
, pp. 373
-
-
Masip, J.1
-
21
-
-
3142773455
-
-
J. Koput and A. Gertych, J. Chem. Phys. 121, 130 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 130
-
-
Koput, J.1
-
22
-
-
0344162705
-
-
J. Noga, R. J. Bartlett, and M. Urban, Chem. Phys. Lett. 134, 126 (1987).
-
(1987)
Chem. Phys. Lett.
, vol.134
, pp. 126
-
-
Noga, J.1
-
23
-
-
0000298163
-
-
H. Koch, O. Christiansen, P. Jørgensen, A. M. Sanchez de Merás, and T. Helgaker, J. Chem. Phys. 106, 1808 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1808
-
-
Koch, H.1
-
25
-
-
3843146349
-
-
D. E. Woon and T. H. Dunning, J. Chem. Phys. 98, 1358 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1358
-
-
Woon, D.E.1
-
26
-
-
0035366784
-
-
T. H. Dunning, K. A. Peterson, and A. K. Wilson, J. Chem. Phys. 114, 9244 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9244
-
-
Dunning, T.H.1
-
27
-
-
51149202867
-
-
M. Yoshimine, A. D. McLean, and B. Liu, J. Chem. Phys. 58, 4412 (1973).
-
(1973)
J. Chem. Phys.
, vol.58
, pp. 4412
-
-
Yoshimine, M.1
-
29
-
-
0001011938
-
-
G. L. Gutsev, P. Jena, and R. J. Bartlett, J. Chem. Phys. 110, 2928 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 2928
-
-
Gutsev, G.L.1
-
31
-
-
33845280230
-
-
M. Rittby and R. J. Bartlett, J. Phys. Chem. 92, 3033 (1988).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 3033
-
-
Rittby, M.1
-
32
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
-
34
-
-
22944471272
-
-
C.L. Janssen, E.T. Seidl, G.E. Scuseria et al., PSITECH, Inc., Watkinsville, GA 30677, U.S.A., 1995
-
C.L. Janssen, E.T. Seidl, G.E. Scuseria et al., PSITECH, Inc., Watkinsville, GA 30677, U.S.A., 1995.
-
-
-
-
36
-
-
22944431669
-
-
note
-
J.F. Stanton, J. Gauss, W.J. Lauderdale, J.D. Watts, and R.J. Bartlett, ACES II. This package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P.R. Taylor, the ABACUS integral derivative program written by T.U. Helgaker, H.J. Aa. Jensen, P. Jørgensen, and P.R. Taylor, and the PROPS property evaluation integral code of P.R. Taylor.
-
-
-
-
37
-
-
22944456012
-
-
note
-
MOLPRO, a package of ab initio programs designed by H.-J. Werner and P.J. Knowles, version 2002.1, contributed by R.D. Amos, A. Bernhardsson, A. Berning et al.
-
-
-
-
42
-
-
0242338386
-
-
Pacific Northwest National Laboratory, Richland
-
T.P. Straatsma, E. Aprà, T.L. Windus et al., NWCHEM, A Computational Chemistry Package for Parallel Computers, Version 4.6 (Pacific Northwest National Laboratory, Richland, 2004);
-
(2004)
NWCHEM, A Computational Chemistry Package for Parallel Computers, Version 4.6
-
-
Straatsma, T.P.1
-
48
-
-
22944477518
-
-
American Chemical Society and American Institute of Physics, New York
-
M.W. Chase, C.A. Davies, J.R. Downey, Jr., D.J. Frurip, R.A. McDonald, and A.N. Syverund, NIST-JANAF Thermochemical Tables, 4th ed. (American Chemical Society and American Institute of Physics, New York, 1998), Part I and II;
-
(1998)
NIST-JANAF Thermochemical Tables, 4th Ed.
, Issue.1-2 PART
-
-
Chase, M.W.1
Davies, C.A.2
Downey Jr., J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverund, A.N.6
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