-
1
-
-
0000631810
-
-
M. Frenklach, D. W. Clary, W. C. Gardiner, S. E. Stein, Proc. Combust. Inst. 1984, 20, 887.
-
(1984)
Proc. Combust. Inst.
, vol.20
, pp. 887
-
-
Frenklach, M.1
Clary, D.W.2
Gardiner, W.C.3
Stein, S.E.4
-
3
-
-
0020846049
-
-
H. Bockhorn, F. Fetting, H. W. Wenz, Ber. Bunsen-Ges. 1983, 87, 1067.
-
(1983)
Ber. Bunsen-Ges.
, vol.87
, pp. 1067
-
-
Bockhorn, H.1
Fetting, F.2
Wenz, H.W.3
-
4
-
-
33745419764
-
-
B. V. Unterreiner, Y. Carissan, W. Klopper, ChemPhysChem 2006, 7, 1311.
-
(2006)
ChemPhysChem
, vol.7
, pp. 1311
-
-
Unterreiner, B.V.1
Carissan, Y.2
Klopper, W.3
-
5
-
-
0042420818
-
-
R. Wellmann, A. Böttcher, M. Kappes, U. Kohl, H. Niehus, Surf. Sci. 2003, 542, 81.
-
(2003)
Surf. Sci.
, vol.542
, pp. 81
-
-
Wellmann, R.1
Böttcher, A.2
Kappes, M.3
Kohl, U.4
Niehus, H.5
-
6
-
-
4444346506
-
-
K. Hemelsoet, V. Van Speybroeck, G. B. Marin, F. De Proft, P. Geerlings, M. Waroquier, J. Phys. Chem. A 2004, 108, 7281.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 7281
-
-
Hemelsoet, K.1
Van Speybroeck, V.2
Marin, G.B.3
De Proft, F.4
Geerlings, P.5
Waroquier, M.6
-
7
-
-
1342305127
-
-
V. Van Speybroeck, K. Hemelsoet, M. Waroquier, G. B. Marin, Int. J. Quantum Chem. 2004, 96, 568.
-
(2004)
Int. J. Quantum Chem.
, vol.96
, pp. 568
-
-
Van Speybroeck, V.1
Hemelsoet, K.2
Waroquier, M.3
Marin, G.B.4
-
8
-
-
9944255301
-
-
T. J. M. de Bruin, F. Lorant, H. Toulhoat, W. A. Goddard III, J. Phys. Chem. A 2004, 108, 10 302.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10302
-
-
De Bruin, T.J.M.1
Lorant, F.2
Toulhoat, H.3
Goddard III, W.A.4
-
9
-
-
0001196889
-
-
I. V. Tokmakov, J. Park, S. Gheyas, M. C. Lin, J. Phys. Chem. A 1999, 103, 3636.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3636
-
-
Tokmakov, I.V.1
Park, J.2
Gheyas, S.3
Lin, M.C.4
-
11
-
-
0345491105
-
-
C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
15
-
-
0242593713
-
-
J. Tao, J. P. Perdew, V. N. Staroverov, G. E. Scuseria, Phys. Rev. Lett. 2003, 91, 146 401.
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 146401
-
-
Tao, J.1
Perdew, J.P.2
Staroverov, V.N.3
Scuseria, G.E.4
-
16
-
-
0347319419
-
-
V. N. Staroverov, G. E. Scuseria, J. Tao, J. P. Perdew, J. Chem. Phys. 2003, 119, 12 129.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12129
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
18
-
-
26344435738
-
-
A. Schäfer, H. Horn, R. Ahlrichs, J. Chem. Phys. 1992, 97, 2571.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571
-
-
Schäfer, A.1
Horn, H.2
Ahlrichs, R.3
-
19
-
-
0039209924
-
-
A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
21
-
-
3743098842
-
-
K. Eichkorn, O. Treutler, H. Öhm, M. Häser, R. Ahlrichs, Chem. Phys. Lett. 1995, 242, 652.
-
(1995)
Chem. Phys. Lett.
, vol.242
, pp. 652
-
-
Eichkorn, K.1
Treutler, O.2
Öhm, H.3
Häser, M.4
Ahlrichs, R.5
-
22
-
-
0038617492
-
-
M. Sierka, A. Hogekamp, R. Ahlrichs, J. Chem. Phys. 2003, 118, 9136.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 9136
-
-
Sierka, M.1
Hogekamp, A.2
Ahlrichs, R.3
-
24
-
-
0038085858
-
-
Molpro (version 2002.6), a package of ab initio programs, H.-J. Werner, P. J. Knowles, R. Lindh, M. Schütz, P. Celani, T. Korona, F. R. Manby, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson, 2003.
-
(2003)
Molpro (Version 2002.6), a Package of Ab Initio Programs
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Schütz, M.4
Celani, P.5
Korona, T.6
Manby, F.R.7
Rauhut, G.8
Amos, R.D.9
Bernhardsson, A.10
Berning, A.11
Cooper, D.L.12
Deegan, M.J.O.13
Dobbyn, A.J.14
Eckert, F.15
Hampel, C.16
Hetzer, G.17
Lloyd, A.W.18
McNicholas, S.J.19
Meyer, W.20
Mura, M.E.21
Nicklass, A.22
Palmieri, P.23
Pitzer, R.24
Schumann, U.25
Stoll, H.26
Stone, A.J.27
Tarroni, R.28
Thorsteinsson, T.29
more..
-
26
-
-
36449001370
-
-
P. J. Knowles, C. Hampel, H.-J. Werner, J. Chem. Phys. 1993, 99, 5219.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
28
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, M. Head-Gordon, 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-Gordon, M.4
-
30
-
-
34250926854
-
-
V. Fock, Z. Phys. 1930, 61, 126.
-
(1930)
Z. Phys.
, vol.61
, pp. 126
-
-
Fock, V.1
-
41
-
-
8344274376
-
-
B. V. Unterreiner, M. Sierka, R. Ahlrichs, Phys. Chem. Chem. Phys. 2004, 6, 4377.
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 4377
-
-
Unterreiner, B.V.1
Sierka, M.2
Ahlrichs, R.3
-
44
-
-
0242667840
-
-
M. Saeys, M.-F. Reyniers, G. B. Marin, V. Van Speybroeck, M. Waroquier, J. Phys. Chem. A 2003, 107, 9147.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 9147
-
-
Saeys, M.1
Reyniers, M.-F.2
Marin, G.B.3
Van Speybroeck, V.4
Waroquier, M.5
-
46
-
-
0036311708
-
-
V. V. Kislov, A. M. Mebel, S. H. Lin, J. Phys. Chem. A 2002, 106, 6171.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 6171
-
-
Kislov, V.V.1
Mebel, A.M.2
Lin, S.H.3
-
52
-
-
0000843605
-
-
R. Ahlrichs, F. Furche, S. Grimme, Chem. Phys. Lett. 2000, 325, 317.
-
(2000)
Chem. Phys. Lett.
, vol.325
, pp. 317
-
-
Ahlrichs, R.1
Furche, F.2
Grimme, S.3
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