-
5
-
-
3042691488
-
-
Fogleman, E. A.; Koizumi, H.; Kercher, J. P.; Szt́ray, B.; Baer, T. J. Phys. Chem. A 2004, 108, 5288-5294.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 5288-5294
-
-
Fogleman, E.A.1
Koizumi, H.2
Kercher, J.P.3
Szt́ray, B.4
Baer, T.5
-
13
-
-
0345491105
-
-
Lee, C.; Yang, W.; Pan, R. G. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Pan, R.G.3
-
14
-
-
0141704726
-
-
Gaussian, Inc.: Pittsburgh, PA, 2004
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, I. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K; Futuda, R.; Hasegawa, J; Ishida, M.; Nakajima, T; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, F.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, Ö.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komáromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision A. 1. 2004; Gaussian, Inc.: Pittsburgh, PA, 2004.
-
(2004)
Gaussian 03, Revision A. 1
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, I.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Futuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, F.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, Ö.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komáromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
17
-
-
0003872652
-
-
Universität Stuttgart, Stuttgart, Germany, University of Sussex, Falmer, Brighton, England
-
The calculations were done with MOLPRO-2000 (Werner, H. J.; Knowles, P. J.; Almlof, J.; Amos, R. D.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Elbert, S. T.; Hampel, C.; Lindh, R.; Lloyd, A. W.; Meyer, W.; Nicklass, A.; Peterson, K. A.; Pitzer, R. M.; Stone, A. J.; Taylor, P. R.; Mura, M. E.; Pulay, P.; Schütz, M.; Stoll, H.; Thorsteinsson, T. MOLPRO. Universität Stuttgart, Stuttgart, Germany, University of Sussex, Falmer, Brighton, England, 1997).
-
(1997)
MOLPRO-2000
-
-
Werner, H.J.1
Knowles, P.J.2
Almlof, J.3
Amos, R.D.4
Berning, A.5
Cooper, D.L.6
Deegan, M.J.O.7
Dobbyn, A.J.8
Eckert, F.9
Elbert, S.T.10
Hampel, C.11
Lindh, R.12
Lloyd, A.W.13
Meyer, W.14
Nicklass, A.15
Peterson, K.A.16
Pitzer, R.M.17
Stone, A.J.18
Taylor, P.R.19
Mura, M.E.20
Pulay, P.21
Schütz, M.22
Stoll, H.23
Molpro, T.T.24
more..
-
20
-
-
36449006622
-
-
Watts, J. D.; Gauss, J.; Bartlett, R. J. J. Chem. Phys. 1993, 98, 8718-8733.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8718-8733
-
-
Watts, J.D.1
Gauss, J.2
Bartlett, R.J.3
-
21
-
-
36449001370
-
-
Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219-5227.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 5219-5227
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
22
-
-
84990713479
-
-
Lee, T. J.; Taylor, P. R. Int. J. Quantum Chem., Quantum Chem. Symp. 1989, 23, 199-210.
-
(1989)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.23
, pp. 199-210
-
-
Lee, T.J.1
Taylor, P.R.2
-
23
-
-
0347767006
-
-
Schutz, M.; Roland, L.; Werner, H.-J. Mol. Phys. 1999, 96, 719-733.
-
(1999)
Mol. Phys.
, vol.96
, pp. 719-733
-
-
Schutz, M.1
Roland, L.2
Werner, H.-J.3
-
27
-
-
36449004790
-
-
Samzow, R.; Hess, B. A.; Jansen, G. J. Chem. Phys. 1992, 96, 1227-1231.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1227-1231
-
-
Samzow, R.1
Hess, B.A.2
Jansen, G.3
-
29
-
-
2442441625
-
-
Sztiray, B.; Szepes, L.; Baer, T. J. Phys. Chem. A 2003, 107, 9486-9490.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 9486-9490
-
-
Sztiray, B.1
Szepes, L.2
Baer, T.3
-
30
-
-
0000277010
-
The NBS tables of chemical thermodynamic properties
-
NSRDS, U.S. Government Printing Office: Washington, DC
-
Wagman, D. D.; Evans, W. H. E.; Parker, V. B.; Schum, R. H.; Halow, I.; Mailey, S. M.; Chumey, K. L.; Nuttall, R. L. The NBS Tables of Chemical Thermodynamic Properties, J. Phys. Chem. Ref. Data Vol. 11, Suppl. 2; NSRDS, U.S. Government Printing Office: Washington, DC, 1982.
-
(1982)
J. Phys. Chem. Ref. Data
, vol.11
, Issue.SUPPL. 2
-
-
Wagman, D.D.1
Evans, W.H.E.2
Parker, V.B.3
Schum, R.H.4
Halow, I.5
Mailey, S.M.6
Chumey, K.L.7
Nuttall, R.L.8
-
31
-
-
0035478107
-
-
de Oliveira, G.; Martin, J. M. L.; Silwal, I. K. C.; Liebman, J. F. J. Comput. Chem. 2001, 22, 1297-1305.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 1297-1305
-
-
De Oliveira, G.1
Martin, J.M.L.2
Silwal, I.K.C.3
Liebman, J.F.4
-
36
-
-
84982063360
-
-
Bock, H.; Hirabayashi, T.; Mohmand, S. Chem. Ber. 1981, 114, 2595-2608.
-
(1981)
Chem. Ber.
, vol.114
, pp. 2595-2608
-
-
Bock, H.1
Hirabayashi, T.2
Mohmand, S.3
-
38
-
-
37049115890
-
-
Cadman, P.; Dodwell, C.; Trotman-Dickenson, A. F.; White, A. J. J. Chem. Soc. A 1970, 2371-2376.
-
(1970)
J. Chem. Soc. A
, pp. 2371-2376
-
-
Cadman, P.1
Dodwell, C.2
Trotman-Dickenson, A.F.3
White, A.J.4
-
41
-
-
0034385232
-
-
Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F.; Kerr, J. A.; Rossi, M. J.; Troe, J. J. Phys. Chem. Ref. Data 2000, 29, 167-266.
-
(2000)
J. Phys. Chem. Ref. Data
, vol.29
, pp. 167-266
-
-
Atkinson, R.1
Baulch, D.L.2
Cox, R.A.3
Hampson, R.F.4
Kerr, J.A.5
Rossi, M.J.6
Troe, J.7
-
44
-
-
0001998551
-
Gas phase ion and neutral thermochemistry
-
NSRDS, U.S. Government Printing Office: Washington, DC
-
Lias, S. G.; Bareness, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. Gas Phase Ion and Neutral Thermochemistry, J. Phys. Chem. Ref. Data Vol. 17, Suppl. 1; NSRDS, U.S. Government Printing Office: Washington, DC, 1988.
-
(1988)
J. Phys. Chem. Ref. Data
, vol.17
, Issue.SUPPL. 1
-
-
Lias, S.G.1
Bareness, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
-
45
-
-
0003363436
-
Ion energetics data
-
Mallard, W. G., Linstrom. P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD
-
Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. Ion Energetics Data. In NIST Chemistry WebBook. NIST Standard Reference Database Number 69; Mallard, W. G., Linstrom. P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 2000 (http://webbook.nist.gov).
-
(2000)
NIST Chemistry WebBook. NIST Standard Reference Database Number 69
, vol.69
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
-
49
-
-
0001310869
-
-
Weitzel, K. M.; Malow, M.; Jarvis, G. K.; Baer, T.; Song, Y.; Ng, C. Y. J. Chem. Phys. 1999, 111, 8267-8270.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 8267-8270
-
-
Weitzel, K.M.1
Malow, M.2
Jarvis, G.K.3
Baer, T.4
Song, Y.5
Ng, C.Y.6
-
50
-
-
0000152877
-
-
Blush, J. A.; Chen, P.; Wiedmann, R. T.; White, M. G. J. Chem. Phys. 1993, 98, 3557-3559.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 3557-3559
-
-
Blush, J.A.1
Chen, P.2
Wiedmann, R.T.3
White, M.G.4
|