-
1
-
-
84990673018
-
-
Purvis, G. D., III; Shepard, R.; Brown, F. B.; Bartlett, R. J. Int. J. Quantum Chem. 1983, 23, 835.
-
(1983)
Int. J. Quantum Chem.
, vol.23
, pp. 835
-
-
Purvis III, G.D.1
Shepard, R.2
Brown, F.B.3
Bartlett, R.J.4
-
2
-
-
30244562157
-
-
O'Neal, D.; Taylor, H.; Simons, J. J. Phys. Chem. 1983, 88, 1510.
-
(1983)
J. Phys. Chem.
, vol.88
, pp. 1510
-
-
O'Neal, D.1
Taylor, H.2
Simons, J.3
-
4
-
-
0001464701
-
-
Page, M.; Saxe, P.; Adams, G. F.; Lengsfield, B. H., III. J. Chem. Phys. 1984, 81, 434.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 434
-
-
Page, M.1
Saxe, P.2
Adams, G.F.3
Lengsfield III, B.H.4
-
5
-
-
4243896688
-
-
Zarrabian, S.; Laidig, W. D.; Bartlett, R. J. Phys. Rev. A 1990, 41, 4711.
-
(1990)
Phys. Rev. A
, vol.41
, pp. 4711
-
-
Zarrabian, S.1
Laidig, W.D.2
Bartlett, R.J.3
-
6
-
-
0343728831
-
-
Valdemoro, C.; Bochicchio, R.; de Lara, M. P.; Tel, L. M. J. Mol. Struct. 1995, 341, 33.
-
(1995)
J. Mol. Struct.
, vol.341
, pp. 33
-
-
Valdemoro, C.1
Bochicchio, R.2
De Lara, M.P.3
Tel, L.M.4
-
7
-
-
0342423734
-
-
Smeyers, Y.; González-Guerra, A.; Martín-González, J.; Fernández-Serra, P. Int. J. Quantum Chem. 1996, 60, 493.
-
(1996)
Int. J. Quantum Chem.
, vol.60
, pp. 493
-
-
Smeyers, Y.1
González-Guerra, A.2
Martín-González, J.3
Fernández-Serra, P.4
-
9
-
-
0001765727
-
-
Chaudhuri, R. K.; Finley, J. P.; Freed, K. F. J. Chem. Phys. 1997, 100, 4067.
-
(1997)
J. Chem. Phys.
, vol.100
, pp. 4067
-
-
Chaudhuri, R.K.1
Finley, J.P.2
Freed, K.F.3
-
11
-
-
0032486773
-
-
Kemper, P. R.; Bushnell, J. E.; Weis, P.; Bowers, M. T. J. Am. Chem. Soc. 1998, 120, 7577.
-
(1998)
Am. Chem. Soc.
, vol.120
, pp. 7577
-
-
Kemper, P.R.1
Bushnell, J.E.2
Weis, P.3
Bowers, M.T.J.4
-
13
-
-
0010973769
-
-
Sharp, S. B.; Lemoine, B.; Gellene, G. I. J. Phys. Chem. B 1999, 103, 8039.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 8039
-
-
Sharp, S.B.1
Lemoine, B.2
Gellene, G.I.3
-
17
-
-
0001216165
-
-
Barbaras, G. D.; Dillard, C.; Finholt, A. E.; Wartik, T.; Wilzbach, K. E.; Schlesinger, H. I. J. Am. Chem. Soc. 1951, 73, 4585.
-
(1951)
J. Am. Chem. Soc.
, vol.73
, pp. 4585
-
-
Barbaras, G.D.1
Dillard, C.2
Finholt, A.E.3
Wartik, T.4
Wilzbach, K.E.5
Schlesinger, H.I.6
-
20
-
-
0346812542
-
-
Head, E. L.; Holly, C. E., Jr.; Rabideau, S. W. J. Am. Chem. Soc. 1957, 79, 3687.
-
(1957)
J. Am. Chem. Soc.
, vol.79
, pp. 3687
-
-
Head, E.L.1
Holly Jr., C.E.2
Rabideau, S.W.3
-
22
-
-
0141765227
-
-
Baker, R. W.; Brendel, G. L.; Lowrance, B. R.; Mangham, J. R.; Marlett, E. M.; Shepherd, L. H., Jr. J. Organomet. Chem. 1978, 159, 123.
-
(1978)
J. Organomet. Chem.
, vol.159
, pp. 123
-
-
Baker, R.W.1
Brendel, G.L.2
Lowrance, B.R.3
Mangham, J.R.4
Marlett, E.M.5
Shepherd Jr., L.H.6
-
23
-
-
0001657835
-
-
Brendel, G. J.; Marlett, E. M.; Niebylski, L. M. Inorg. Chem. 1978, 17, 3589.
-
(1978)
Inorg. Chem.
, vol.17
, pp. 3589
-
-
Brendel, G.J.1
Marlett, E.M.2
Niebylski, L.M.3
-
33
-
-
0342423716
-
-
Kaufman, J. J.; Sachs, L. M.; Geller, M. J. Chem. Phys. 1968, 49, 4369.
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 4369
-
-
Kaufman, J.J.1
Sachs, L.M.2
Geller, M.3
-
35
-
-
33847087975
-
-
Dill, J. D.; Schleyer, P. v. R.; Binkley, J. S.; Pople, J. A. J. Am. Chem. Soc. 1977, 99, 6159.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 6159
-
-
Dill, J.D.1
Schleyer, P.V.R.2
Binkley, J.S.3
Pople, J.A.4
-
37
-
-
84986465483
-
-
Cimiraglia, R.; Persico, M.; Tomasi, J.; Charkin, O. P. J. Compitt. Chem. 1984, 5, 263.
-
(1984)
Compitt. Chem.
, vol.5
, pp. 263
-
-
Cimiraglia, R.1
Persico, M.2
Tomasi, J.3
Charkin, O.P.J.4
-
38
-
-
33645242628
-
-
Pople, J. A.; Luke, B. T.; Frisch, M. J.; Binkley, J. S. J. Phys. Chem. 1985, 59, 2198.
-
(1985)
J. Phys. Chem.
, vol.59
, pp. 2198
-
-
Pople, J.A.1
Luke, B.T.2
Frisch, M.J.3
Binkley, J.S.4
-
39
-
-
33751151789
-
-
DeFrees, D. J.; Raghavachari, K.; Schlegel, H. B.; Pople, J. A.; Schleyer, P. v. R. J. Phys. Chem. 1987, 97, 1857.
-
(1987)
Phys. Chem.
, vol.97
, pp. 1857
-
-
Defrees, D.J.1
Raghavachari, K.2
Schlegel, H.B.3
Pople, J.A.4
Schleyer, P.V.R.5
-
41
-
-
0025795244
-
-
Sana, M.; Leroy, G.; Wilante, C. Organometallics 1991, 10, 264.
-
(1991)
Organometallics
, vol.10
, pp. 264
-
-
Sana, M.1
Leroy, G.2
Wilante, C.3
-
43
-
-
0000159078
-
-
Brima, P. J.; Di Labio, G. A.; Wright, J. S. J. Phys. Chem. 1992, 96, 6269.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 6269
-
-
Brima, P.J.1
Di Labio, G.A.2
Wright, J.S.3
-
45
-
-
33645935468
-
-
note
-
Basis set was obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Marorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information. World Wide Web address: http://www.emsl.pnl.gov: 2080/forms/basisform.html.
-
-
-
-
46
-
-
4143095330
-
-
Kendal, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendal, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
51
-
-
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
-
52
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegal, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, I.V.; Foresman, J. B.; 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. P.; HeadGordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision B.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegal, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, I.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Headgordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
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-
-
33645953404
-
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions from: Almlöf, J.; Amos, R. D.; Deegan, M. J. O.; Elbert, S. T.; Hampel, C.; Meyer, W.; Peterson, K.; Pitzer, R.; Stone, A. J.; Taylor, P. R.; Lindh, R
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MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions from: Almlöf, J.; Amos, R. D.; Deegan, M. J. O.; Elbert, S. T.; Hampel, C.; Meyer, W.; Peterson, K.; Pitzer, R.; Stone, A. J.; Taylor, P. R.; Lindh, R.
-
-
-
-
60
-
-
33645926136
-
-
Masters Thesis, Texas Tech University
-
Chang, D. T. Masters Thesis, Texas Tech University, 1998.
-
(1998)
-
-
Chang, D.T.1
-
63
-
-
0031560729
-
-
Tunega, D.; Noga, J.; Klopper, W. Chem. Phys. Lett. 1997, 269, 435.
-
(1997)
Chem. Phys. Lett.
, vol.269
, pp. 435
-
-
Tunega, D.1
Noga, J.2
Klopper, W.3
-
64
-
-
84987143781
-
-
Blomberg, M. R. A.; Siegbahn, P. E. M.; Roos, B. O. Int. J. Quantum. Chem. 1980, SI4, 229.
-
(1980)
Int. J. Quantum. Chem.
, vol.SI4
, pp. 229
-
-
Blomberg, M.R.A.1
Siegbahn, P.E.M.2
Roos, B.O.3
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