-
18
-
-
0001545924
-
-
(common CCH transients)
-
Andrews, L.; Kushto, G. P.; Zhou, M.; Willson, S. P.; Souter, P. F. J. Chem. Phys. 1999, 110, 4457 (common CCH transients)
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4457
-
-
Andrews, L.1
Kushto, G.P.2
Zhou, M.3
Willson, S.P.4
Souter, P.F.5
-
21
-
-
0001312939
-
-
Ritter, D.; Carroll, J. J.; Weisshaar, J. C. J. Phys. Chem. 1992, 96, 10636
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 10636
-
-
Ritter, D.1
Carroll, J.J.2
Weisshaar, J.C.3
-
24
-
-
49049147980
-
-
Pyykko, P.; Snijders, J. G.; Baerends, E. J. Chem. Phys. Lett. 1981, 83, 432
-
(1981)
Chem. Phys. Lett.
, vol.83
, pp. 432
-
-
Pyykko, P.1
Snijders, J.G.2
Baerends, E.J.3
-
25
-
-
36749120374
-
-
Ziegler, T.; Snijders, J. G.; Baerends, E. J. J. Chem. Phys. 1981, 74, 1271
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 1271
-
-
Ziegler, T.1
Snijders, J.G.2
Baerends, E.J.3
-
26
-
-
0038218089
-
-
(Lanthanide contraction)
-
Pyykko, P. Chem. Rev. 1988, 88, 563 (Lanthanide contraction)
-
(1988)
Chem. Rev.
, vol.88
, pp. 563
-
-
Pyykko, P.1
-
27
-
-
0036555542
-
-
references therein
-
Andrews, L.; Citra, A. Chem. Rev. 2002, 102, 885 and references therein
-
(2002)
Chem. Rev.
, vol.102
, pp. 885
-
-
Andrews, L.1
Citra, A.2
-
28
-
-
1642302115
-
-
references therein
-
Andrews, L. Chem. Soc. Rev. 2004, 33, 123 and references therein
-
(2004)
Chem. Soc. Rev.
, vol.33
, pp. 123
-
-
Andrews, L.1
-
29
-
-
0038626673
-
-
revision C.02; Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. 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.; Fukuda, 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.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; 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, O.; 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.; Komaromi, 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 C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03
-
-
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, Jr.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.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
Fukuda, 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
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
31
-
-
0345491105
-
-
Lee, C.; Yang, Y.; Parr, R. G. Phys. Rev. B 1988, 37, 785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, Y.2
Parr, R.G.3
-
32
-
-
11744322674
-
-
Andrae, D.; Haeussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123
-
-
Andrae, D.1
Haeussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
33
-
-
0003454331
-
-
Dobson, J. F.; Vignale, G.; Das, M. P., Eds.; Plenum: New York
-
Burke, K.; Perdew, J. P.; Wang, Y. In Electronic Density Functional Theory: Recent Progress and New Directions; Dobson, J. F.; Vignale, G.; Das, M. P., Eds.; Plenum: New York, 1998.
-
(1998)
Electronic Density Functional Theory: Recent Progress and New Directions
-
-
Burke, K.1
Perdew, J.P.2
Wang, Y.3
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