-
3
-
-
0041893687
-
W1 and W2 theory and their variants: thermochemistry in the kJ/mol accuracy range
-
Quantum Mechanical Prediction of Thermochemical Data. Cioslowski J. (Ed), Kluwer, Dordrecht, The Netherlands (Chapter 2)
-
Martin J.M.L., and Parthiban S. W1 and W2 theory and their variants: thermochemistry in the kJ/mol accuracy range. In: Cioslowski J. (Ed). Quantum Mechanical Prediction of Thermochemical Data. Understanding Chemical Reactivity series vol. 22 (2001), Kluwer, Dordrecht, The Netherlands 31-65 (Chapter 2)
-
(2001)
Understanding Chemical Reactivity series
, vol.22
, pp. 31-65
-
-
Martin, J.M.L.1
Parthiban, S.2
-
4
-
-
1842424174
-
-
Boese A.D., Oren M., Atasoylu O., Martin J.M.L., Kállay M., and Gauss J. J. Chem. Phys. 120 (2004) 4129
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 4129
-
-
Boese, A.D.1
Oren, M.2
Atasoylu, O.3
Martin, J.M.L.4
Kállay, M.5
Gauss, J.6
-
6
-
-
33748928343
-
-
F. von Stadion, Ann. Chim. Phys. 8 406 (1818).
-
-
-
-
8
-
-
0346377638
-
-
Rauk A., Rowe E.T., Chen Y., McGrath M.P., and Radom L. J. Phys. Chem. 97 (1993) 7947
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 7947
-
-
Rauk, A.1
Rowe, E.T.2
Chen, Y.3
McGrath, M.P.4
Radom, L.5
-
11
-
-
0024839398
-
-
Anderson J.G., Brune W.H., Lloyd S.A., Toohey D.W., Sander S.P., Starr W.L., Loewenstein M., and Podolsky J.R. J. Geophys. Res. 94 (1989) 11480
-
(1989)
J. Geophys. Res.
, vol.94
, pp. 11480
-
-
Anderson, J.G.1
Brune, W.H.2
Lloyd, S.A.3
Toohey, D.W.4
Sander, S.P.5
Starr, W.L.6
Loewenstein, M.7
Podolsky, J.R.8
-
12
-
-
0242663322
-
-
Li Q., Lü S., Xie Y., von Ragué Schleyer P., and Schaefer III H.F. Int. J. Quantum Chem. 95 (2003) 731
-
(2003)
Int. J. Quantum Chem.
, vol.95
, pp. 731
-
-
Li, Q.1
Lü, S.2
Xie, Y.3
von Ragué Schleyer, P.4
Schaefer III, H.F.5
-
16
-
-
0000277010
-
-
Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Halow I., Bailey S.M., Churney K.L., and Nuttall R.L. J. Phys. Chem. Ref. Data Suppl. 2 (1982) 11
-
(1982)
J. Phys. Chem. Ref. Data Suppl.
, vol.2
, pp. 11
-
-
Wagman, D.D.1
Evans, W.H.2
Parker, V.B.3
Schumm, R.H.4
Halow, I.5
Bailey, S.M.6
Churney, K.L.7
Nuttall, R.L.8
-
20
-
-
33748938265
-
-
NIST Standard Reference Database 25, Version 1.0; National Bureau of Standards and Technology, Gaithersburg, MD, 1991; quoted in Ref. [15].
-
-
-
-
22
-
-
33748935837
-
-
IOzone filesystem benchmark, http://www.iozone.org.
-
-
-
-
26
-
-
33748942181
-
-
Molpro, a package of ab initio programs designed by H.-J. Werner, P.J. Knowles, version 2002.6. With contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P.J. Knowles, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, H.-J. Werner.
-
-
-
-
27
-
-
33748920967
-
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, gaussian 03, Revision B.02, Gaussian, Inc., Pittsburgh, PA, 2003.
-
-
-
-
34
-
-
0035935884
-
-
(erratum 116, 3502 (2002))
-
Jensen F. J. Chem. Phys. 115 (2001) 9113 (erratum 116, 3502 (2002))
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 9113
-
-
Jensen, F.1
-
43
-
-
0032502389
-
-
Halkier A., Helgaker T., Jørgensen P., Klopper W., Koch H., Olsen J., and Wilson K. Chem. Phys. Lett. 286 (1998) 243
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, K.7
-
53
-
-
0034692158
-
-
Wesolowski S.S., Valeev E.F., King R.A., Baranovski V., and Schaefer III H.F. Mol. Phys. 98 (2000) 1227
-
(2000)
Mol. Phys.
, vol.98
, pp. 1227
-
-
Wesolowski, S.S.1
Valeev, E.F.2
King, R.A.3
Baranovski, V.4
Schaefer III, H.F.5
-
60
-
-
29544444043
-
-
A.D. Boese, J.M.L. Martin, J. Mol. Struct. 780 (2006) 310.
-
-
-
-
64
-
-
0012154673
-
-
Curtiss L.A., Raghavachari K., Redfern P.C., Rassolov V., and Pople J.A. J. Chem. Phys. 109 (1998) 7764
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
66
-
-
84860989207
-
-
Rühl E., Rockland U., Baumgärtel H., Lösking O., Binnewies M., and Willner H. Int. J. Mass Spectrom. 85 (1999) 545
-
(1999)
Int. J. Mass Spectrom.
, vol.85
, pp. 545
-
-
Rühl, E.1
Rockland, U.2
Baumgärtel, H.3
Lösking, O.4
Binnewies, M.5
Willner, H.6
-
67
-
-
0001321359
-
-
Li W.-K., Lau K.-C., Ng C.Y., Baumgärtel H., and Weitzel K.-M. J. Phys. Chem. A 104 (2000) 3197
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 3197
-
-
Li, W.-K.1
Lau, K.-C.2
Ng, C.Y.3
Baumgärtel, H.4
Weitzel, K.-M.5
-
69
-
-
33645706472
-
-
A. Karton, J.M.L. Martin, Theor. Chem. Acc. 115 (2006) 330.
-
-
-
|