-
5
-
-
0001420456
-
-
I.A. Topol, G.J. Tawa, S.K. Burt, A.A. Rashin, J. Chem. Phys., 111 (1999) 10998.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 10998
-
-
Topol, I.A.1
Tawa, G.J.2
Burt, S.K.3
Rashin, A.A.4
-
8
-
-
0001127027
-
-
G. Bischof, A. Silbernagl, K. Hermansson, M. Probst, Int. J. Quantum Chem., 65 (1997) 803.
-
(1997)
Int. J. Quantum Chem.
, vol.65
, pp. 803
-
-
Bischof, G.1
Silbernagl, A.2
Hermansson, K.3
Probst, M.4
-
11
-
-
36449009665
-
-
D. Feller, E.D. Glendening, R.A. Kendall, K.A. Peterson, J. Chem. Phys., 100 (1994) 4981.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4981
-
-
Feller, D.1
Glendening, E.D.2
Kendall, R.A.3
Peterson, K.A.4
-
12
-
-
0000172454
-
-
C.L. Marshall, J.B. Nicholas, H. Brand, K.A. Carrado, R. E. Winans, J. Phys. Chem., 100 (1996) 15748.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 15748
-
-
Marshall, C.L.1
Nicholas, J.B.2
Brand, H.3
Carrado, K.A.4
Winans, R.E.5
-
14
-
-
1542365896
-
-
D. Feller, E.D. Glendening, D.E. Woon, M.W. Feyereisen, J. Chem. Phys., 103 (1995) 3526.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 3526
-
-
Feller, D.1
Glendening, E.D.2
Woon, D.E.3
Feyereisen, M.W.4
-
22
-
-
34250817103
-
-
A.D. Becke, J. Chem. Phys., 98 (1993) 1372, A.D. Becke, J. Chem. Phys., 98 (1993) 5648.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
Becke, A.D.1
-
23
-
-
0000189651
-
-
A.D. Becke, J. Chem. Phys., 98 (1993) 1372, A.D. Becke, J. Chem. Phys., 98 (1993) 5648.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
24
-
-
84873055189
-
-
Wiley, New York
-
W.J. Hehre, L. Radom, P.v.P. Schleyer, J.A. Pople, Ab initio molecular orbital theory, Wiley, New York 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.P.3
Pople, J.A.4
-
25
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.A. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.A. Millam, A.D. Daniels, K.A. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Reploge, J.A. Pople, Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, (1998).
-
(1998)
Gaussian 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.A.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.A.12
Daniels, A.D.13
Kudin, K.A.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Reploge, E.S.56
Pople, J.A.57
more..
-
26
-
-
36749116113
-
-
A.E. Reed, F. Weinhold, J. Chem. Phys., 78 (1983) 4066; A.E. Reed, R.B. Weinstock, F. Weinhold, J. Chem. Phys., 83 (1985) 735.
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4066
-
-
Reed, A.E.1
Weinhold, F.2
-
27
-
-
36148995600
-
-
A.E. Reed, F. Weinhold, J. Chem. Phys., 78 (1983) 4066; A.E. Reed, R.B. Weinstock, F. Weinhold, J. Chem. Phys., 83 (1985) 735.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
28
-
-
0013330581
-
-
Ohio State University, Columbus, OH
-
S.M. Freund, P.D. Godfrey, W. Klemperer, Paper E8 presented at 25th Symp. Mol. Struct. and Spectrosc., Ohio State University, Columbus, OH, 1970.
-
(1970)
25th Symp. Mol. Struct. and Spectrosc.
-
-
Freund, S.M.1
Godfrey, P.D.2
Klemperer, W.3
-
29
-
-
84952278688
-
-
M.W. Chase, J.L. Curnutt, A.T. Hu, H. Prophet, A.N. Syverud, L.C. Walker, J. Phys. Chem. Ref. Data, 3 (1976) 311.
-
(1976)
J. Phys. Chem. Ref. Data
, vol.3
, pp. 311
-
-
Chase, M.W.1
Curnutt, J.L.2
Hu, A.T.3
Prophet, H.4
Syverud, A.N.5
Walker, L.C.6
-
30
-
-
0035854908
-
-
M. Trachtman, G.D. Markham, J.P. Glusker, P. George, C. W. Bock, Inorg. Chem., 40 (2001) 4230.
-
(2001)
Inorg. Chem.
, vol.40
, pp. 4230
-
-
Trachtman, M.1
Markham, G.D.2
Glusker, J.P.3
George, P.4
Bock, C.W.5
-
31
-
-
0001422309
-
-
S. Re, Y. Osamura, Y. Suzuki, H.F. Schaefer III, J. Chem. Phys., 109 (1998) 973.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 973
-
-
Re, S.1
Osamura, Y.2
Suzuki, Y.3
Schaefer H.F. III4
|