-
1
-
-
0000584714
-
-
Purnell, J. H.; Walsh, R. Proc. R. Soc. London, Ser. A 1966, 293, 543.
-
(1966)
Proc. R. Soc. London, Ser. A
, vol.293
, pp. 543
-
-
Purnell, J.H.1
Walsh, R.2
-
3
-
-
0004480326
-
-
Newman, C. G.; Ring, M. A.; O'Neal, H. E. J. Am. Chem. Soc. 1978, 100, 5945.
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 5945
-
-
Newman, C.G.1
Ring, M.A.2
O'Neal, H.E.3
-
4
-
-
0039752588
-
-
Agrawal, P. M.; Thomson, D. L.; Raff, L. M. J. Chem. Phys. 1988, 88, 5948.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 5948
-
-
Agrawal, P.M.1
Thomson, D.L.2
Raff, L.M.3
-
6
-
-
0001021412
-
-
Jasinski, J. M.; Meyerson, B. S.; Scott, B. A. Annu. Rev. Phys. Chem. 1987, 38, 109.
-
(1987)
Annu. Rev. Phys. Chem.
, vol.38
, pp. 109
-
-
Jasinski, J.M.1
Meyerson, B.S.2
Scott, B.A.3
-
7
-
-
0035826034
-
-
Sari, L.; Gonzales, J. M.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 2001, 114, 4472.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 4472
-
-
Sari, L.1
Gonzales, J.M.2
Yamaguchi, Y.3
Schaefer, H.F.4
-
8
-
-
0034317149
-
-
Pak, C.; Rienstra-Kiracofe, J. C.; Schaefer, H. F. J. Phys. Chem. A 2000, 104, 11232.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 11232
-
-
Pak, C.1
Rienstra-Kiracofe, J.C.2
Schaefer, H.F.3
-
9
-
-
0037165457
-
-
Tonokura, K.; Murasaki, T.; Koshi, M. J. Phys. Chem. 2002, 106, 555.
-
(2002)
J. Phys. Chem.
, vol.106
, pp. 555
-
-
Tonokura, K.1
Murasaki, T.2
Koshi, M.3
-
11
-
-
0031590091
-
-
Gong, X. G.; Guenzburger, D.; Saitovitch, E. B. Chem. Phys. Lett. 1997, 275, 392.
-
(1997)
Chem. Phys. Lett.
, vol.275
, pp. 392
-
-
Gong, X.G.1
Guenzburger, D.2
Saitovitch, E.B.3
-
15
-
-
0001059378
-
-
Ernst, M. C.; Sax, A. F.; Kalcher, J. Chem. Phys. Lett. 1993, 216, 189.
-
(1993)
Chem. Phys. Lett.
, vol.216
, pp. 189
-
-
Ernst, M.C.1
Sax, A.F.2
Kalcher, J.3
-
17
-
-
0000821518
-
-
Bogey, M.; Bolvin, H.; Demuynck, C.; Destombes, J. L. Phys. Rev. Lett. 1991, 66, 413.
-
(1991)
Phys. Rev. Lett.
, vol.66
, pp. 413
-
-
Bogey, M.1
Bolvin, H.2
Demuynck, C.3
Destombes, J.L.4
-
19
-
-
0001552501
-
-
Hün, M. M.; Amos, R. D.; Kobayashi, R.; Handy, N. C. J. Chem. Phys. 1993, 98, 7107.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 7107
-
-
Hün, M.M.1
Amos, R.D.2
Kobayashi, R.3
Handy, N.C.4
-
21
-
-
0000985588
-
-
Nielsen, I. M. B.; Allen, W. D.; Csdszdr, A. G.; Schaefer, H. F. J. Chem. Phys. 1997, 107, 1195.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 1195
-
-
Nielsen, I.M.B.1
Allen, W.D.2
Csdszdr, A.G.3
Schaefer, H.F.4
-
23
-
-
0000042522
-
-
Curtiss, L. A.; Raghavachari, K.; Deutsch, P. W.; Pople, J. A. J. Chem. Phys. 1991, 95, 2433.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 2433
-
-
Curtiss, L.A.1
Raghavachari, K.2
Deutsch, P.W.3
Pople, J.A.4
-
24
-
-
0010580277
-
-
West, R.; Fink, M. J.; Michl, J. Science 1981, 214, 1343.
-
(1981)
Science
, vol.214
, pp. 1343
-
-
West, R.1
Fink, M.J.2
Michl, J.3
-
30
-
-
33845375231
-
-
Luke, B. T.; Pople, J. A.; Krogh-Jespersen, M. B.; Apeloig, Y.; Karni, M.; Chandrasekhar, J.; Schleyer, P. v. R. J. Am. Chem, Soc. 1986, 108, 270.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 270
-
-
Luke, B.T.1
Pople, J.A.2
Krogh-Jespersen, M.B.3
Apeloig, Y.4
Karni, M.5
Chandrasekhar, J.6
Schleyer, P.V.R.7
-
31
-
-
0001059378
-
-
Ernst, M. C.; Sax, A. F.; Kalcher, J. Chem. Phys. Lett. 1993, 216, 189.
-
(1993)
Chem. Phys. Lett.
, vol.216
, pp. 189
-
-
Ernst, M.C.1
Sax, A.F.2
Kalcher, J.3
-
32
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gorden, 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-Gorden, M.4
-
33
-
-
84858536043
-
-
Extensible Computational Chemistry Environment Basis Set Database, Version 1/29/01, 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, USA. http://www.emsl.pnl.gov: 2080/forms/basisform.html.
-
Extensible Computational Chemistry Environment Basis Set Database, Version 1/29/01
-
-
-
39
-
-
0001685342
-
-
Schaefer, H. F., Ed.; Plenum Press: New York
-
Pulay, P. in Modern Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum Press: New York, 1977; Vol. 4, pp 153-185.
-
(1977)
Modern Theoretical Chemistry
, vol.4
, pp. 153-185
-
-
Pulay, P.1
-
41
-
-
0004040379
-
-
Integral packages included are VMOL (Almlöf, J.; Taylor, P. R.); VPROPS (Taylor, P.); ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.; Taylor, P. R.)
-
ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: Stanton, J. F.; Gauss, J.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Perera, S. A.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.; Balkova, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H. ; Hober, C.; Bartlett, R. J. Integral packages included are VMOL (Almlöf, J.; Taylor, P. R.); VPROPS (Taylor, P.); ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J.; Taylor, P. R.).
-
ACES II
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Nooijen, M.4
Oliphant, N.5
Perera, S.A.6
Szalay, P.G.7
Lauderdale, W.J.8
Gwaltney, S.R.9
Beck, S.10
Balkova, A.11
Bernholdt, D.E.12
Baeck, K.-K.13
Rozyczko, P.14
Sekino, H.15
Hober, C.16
Bartlett, R.J.17
-
42
-
-
0001414996
-
-
Kong, J.; White, C. A.; Krylov, A. I.; Sherrill, C. D.; Adamson, R. D.; Furlani, T. R.; Lee, M. S.; Lee, A. M.; Gwaltney, S. R.; Adams, T. R.; Ochsenfeld, C.; Gilbert, A. T. B.; Kedziora, G. S.; Rassolov, V. A.; Maurice, D. R.; Nair, N.; Shao, Y.; Besley, N. A.; Maslen, P. E.; Dombroski, J. P.; Daschel, H.; Zhang, W.; Korambath, P. P.; Baker, J.; Byrd, E. F. C.; Voorhis, T. V.; Oumi, M.; Hirata, S.; Hsu, C.-P.; Ishikawa, N.; Florian, J.; Warshel, A.; Johnson, B. G.; Gill, P. M. W.; Head-Gordon, M.; Pople, J. A. J. Comput. Chem. 2000, 21, 1532.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 1532
-
-
Kong, J.1
White, C.A.2
Krylov, A.I.3
Sherrill, C.D.4
Adamson, R.D.5
Furlani, T.R.6
Lee, M.S.7
Lee, A.M.8
Gwaltney, S.R.9
Adams, T.R.10
Ochsenfeld, C.11
Gilbert, A.T.B.12
Kedziora, G.S.13
Rassolov, V.A.14
Maurice, D.R.15
Nair, N.16
Shao, Y.17
Besley, N.A.18
Maslen, P.E.19
Dombroski, J.P.20
Daschel, H.21
Zhang, W.22
Korambath, P.P.23
Baker, J.24
Byrd, E.F.C.25
Voorhis, T.V.26
Oumi, M.27
Hirata, S.28
Hsu, C.-P.29
Ishikawa, N.30
Florian, J.31
Warshel, A.32
Johnson, B.G.33
Gill, P.M.W.34
Head-Gordon, M.35
Pople, J.A.36
more..
-
43
-
-
0034363176
-
-
McCarthy, M. C.; Chen, W.; Travers, M. J.; Thaddeus, P. Astro. J. Suppl. Ser. 2000, 129, 611.
-
(2000)
Astro. J. Suppl. Ser.
, vol.129
, pp. 611
-
-
McCarthy, M.C.1
Chen, W.2
Travers, M.J.3
Thaddeus, P.4
-
44
-
-
0037824804
-
-
McCarthy, M. C.; Gottlieb, C. A.; Thaddeus, P. Mol. Phys. 2003, 101, 697.
-
(2003)
Mol. Phys.
, vol.101
, pp. 697
-
-
McCarthy, M.C.1
Gottlieb, C.A.2
Thaddeus, P.3
-
45
-
-
36449005105
-
-
Cordonnier, M.; Bogey, M.; Demuynck, C.; Destombes, J. L. J. Chem. Phys. 1992, 97, 7984.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7984
-
-
Cordonnier, M.1
Bogey, M.2
Demuynck, C.3
Destombes, J.L.4
-
47
-
-
3643144595
-
-
Somosundram, K.; Amos, R. D.; Handy, N. C. Theor. Chim. Acta 1988, 70, 393.
-
(1988)
Theor. Chim. Acta
, vol.70
, pp. 393
-
-
Somosundram, K.1
Amos, R.D.2
Handy, N.C.3
|