-
3
-
-
0039762044
-
-
M. K. Lawless, S. D. Wickham, R. A. Mathies, Acc. Chem. Res. 1995, 28, 43.
-
(1995)
Acc. Chem. Res.
, vol.28
, pp. 43
-
-
Lawless, M.K.1
Wickham, S.D.2
Mathies, R.A.3
-
4
-
-
0342637682
-
-
M. K. Lawless, S. D. Wickham, R. A. Mathies, J. Am. Chem. Soc. 1994, 116, 1593.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1593
-
-
Lawless, M.K.1
Wickham, S.D.2
Mathies, R.A.3
-
5
-
-
36549090808
-
-
a) M. O. Trulson, G. D. Dollinger, R. A. Mathies, J. Chem. Phys. 1989, 90, 4274;
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 4274
-
-
Trulson, M.O.1
Dollinger, G.D.2
Mathies, R.A.3
-
6
-
-
85080589706
-
-
b) P. J. Ried, S. J. Doig, S. D. Wickham, R. A. Mathies, J. Am. Chem. Soc. 1993, 775, 4754;
-
(1993)
J. Am. Chem. Soc.
, vol.775
, pp. 4754
-
-
Ried, P.J.1
Doig, S.J.2
Wickham, S.D.3
Mathies, R.A.4
-
7
-
-
0001177314
-
-
c) S. A. Trushin, W. Fuß, T. Schikarski, W. E. Schmid, K. L. Kompa, J. Phys. Chem. 1997, 106, 9386.
-
(1997)
J. Phys. Chem.
, vol.106
, pp. 9386
-
-
Trushin, S.A.1
Fuß, W.2
Schikarski, T.3
Schmid, W.E.4
Kompa, K.L.5
-
8
-
-
0001076558
-
-
a) P. J. Ried, A. P. Shreve, R. A. Mathies, J. Phys. Chem. 1993, 97, 12691;
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 12691
-
-
Ried, P.J.1
Shreve, A.P.2
Mathies, R.A.3
-
9
-
-
0001687173
-
-
b) P. M. Borell, H. G. Löhmannsröben, K. Luther, Chem. Phys. Lett. 1987, 136, 371.
-
(1987)
Chem. Phys. Lett.
, vol.136
, pp. 371
-
-
Borell, P.M.1
Löhmannsröben, H.G.2
Luther, K.3
-
10
-
-
0040354071
-
-
P. J. Ried, S. D. Wickham, R. A. Mathies, J. Phys. Chem. 1992, 96, 5270.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 5270
-
-
Ried, P.J.1
Wickham, S.D.2
Mathies, R.A.3
-
11
-
-
0032525645
-
-
W. Fuß, S. Lochbrunner, A. M. Müller, T. Schikarski, W. E. Schmid, S. A. Trushin, Chem. Phys. 1998, 232, 161.
-
(1998)
Chem. Phys.
, vol.232
, pp. 161
-
-
Fuß, W.1
Lochbrunner, S.2
Müller, A.M.3
Schikarski, T.4
Schmid, W.E.5
Trushin, S.A.6
-
12
-
-
0033120617
-
-
S. A. Trushin, S. Diemer, W. Fuß, K. L. Kompa, W. E. Schmid, Phys. Chem. Chem. Phys. 1999, 1, 1431.
-
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 1431
-
-
Trushin, S.A.1
Diemer, S.2
Fuß, W.3
Kompa, K.L.4
Schmid, W.E.5
-
13
-
-
0039762039
-
-
F. Bernardi, M. Olivucci, M. A. Robb, Chem. Soc. Rev. 1996, 25, 231.
-
(1996)
Chem. Soc. Rev.
, vol.25
, pp. 231
-
-
Bernardi, F.1
Olivucci, M.2
Robb, M.A.3
-
14
-
-
0001068353
-
-
M. Klessinger, Angew. Chem. 1995, 107, 597; Angew. Chem. Int. Ed. Engl. 1995, 34, 549.
-
(1995)
Angew. Chem.
, vol.107
, pp. 597
-
-
Klessinger, M.1
-
15
-
-
84985512927
-
-
M. Klessinger, Angew. Chem. 1995, 107, 597; Angew. Chem. Int. Ed. Engl. 1995, 34, 549.
-
(1995)
Angew. Chem. Int. Ed. Engl.
, vol.34
, pp. 549
-
-
-
17
-
-
2342474255
-
-
G. J. Atchity, S. S. Xantheas, K. Ruedenberg, J. Chem. Phys. 1991, 95, 1862.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1862
-
-
Atchity, G.J.1
Xantheas, S.S.2
Ruedenberg, K.3
-
18
-
-
0000757231
-
-
P. Celani, S. Ottani, M. Olivucci, F. Bernardi, M. A. Robb, J. Am. Chem. Soc. 1994, 116, 10141.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10141
-
-
Celani, P.1
Ottani, S.2
Olivucci, M.3
Bernardi, F.4
Robb, M.A.5
-
19
-
-
2742614968
-
-
M. Garavelli, F. Bernardi, M. Olivucci, T. Vreven, S. Klein, P. Celani, M. A. Robb, Faraday Discuss. Chem. Soc. 1998, 110, 51-70.
-
(1998)
Faraday Discuss. Chem. Soc.
, vol.110
, pp. 51-70
-
-
Garavelli, M.1
Bernardi, F.2
Olivucci, M.3
Vreven, T.4
Klein, S.5
Celani, P.6
Robb, M.A.7
-
20
-
-
0001572524
-
-
W. Paulick, W. Abraham, C. Jung, D. Kreysig, Mol. Photochem. 1979, 9, 443.
-
(1979)
Mol. Photochem.
, vol.9
, pp. 443
-
-
Paulick, W.1
Abraham, W.2
Jung, C.3
Kreysig, D.4
-
21
-
-
0013597748
-
-
T. Tezuka, O. Kikuchi, K. N. Houk, M. N. Paddon-Row, C. M. Santiago, N. G. Rondan, Jr., J. C. Williams, R. W. Gandour, J. Am. Chem. Soc. 1981, 103, 1367.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 1367
-
-
Tezuka, T.1
Kikuchi, O.2
Houk, K.N.3
Paddon-Row, M.N.4
Santiago, C.M.5
Rondan N.G., Jr.6
Williams, J.C.7
Gandour, R.W.8
-
22
-
-
0039829018
-
-
a) V. Bonačić-Koutecký, P. Bruckmann, J. Koutecký, C. Leforestier, L. Salem, Angew. Chem. 1975,57,599; Angew. Chem. Int. Ed. Engl. 1975, 14, 575;
-
(1975)
Angew. Chem.
, vol.57
, pp. 599
-
-
Bonačić-Koutecký, V.1
Bruckmann, P.2
Koutecký, J.3
Leforestier, C.4
Salem, L.5
-
23
-
-
84982358017
-
-
a) V. Bonačić-Koutecký, P. Bruckmann, J. Koutecký, C. Leforestier, L. Salem, Angew. Chem. 1975,57,599; Angew. Chem. Int. Ed. Engl. 1975, 14, 575;
-
(1975)
Angew. Chem. Int. Ed. Engl.
, vol.14
, pp. 575
-
-
-
26
-
-
0013627309
-
-
H.-M. Steuhl, M. Klessinger, Angew. Chem. 1994, 106, 2568; Angew. Chem. Int. Ed. Engl. 1994, 33, 2431.
-
(1994)
Angew. Chem.
, vol.106
, pp. 2568
-
-
Steuhl, H.-M.1
Klessinger, M.2
-
27
-
-
1542556932
-
-
H.-M. Steuhl, M. Klessinger, Angew. Chem. 1994, 106, 2568; Angew. Chem. Int. Ed. Engl. 1994, 33, 2431.
-
(1994)
Angew. Chem. Int. Ed. Engl.
, vol.33
, pp. 2431
-
-
-
28
-
-
0001729128
-
-
a) P. Wan, E. Krogh, B. Chak, J. Am. Chem. Soc. 1988, 110,4073;
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 4073
-
-
Wan, P.1
Krogh, E.2
Chak, B.3
-
29
-
-
0001639308
-
-
b) P. Wan, D. Budac, M. Earle, D. Shukla, J. Am. Chem. Soc. 1990, 112, 8048;
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8048
-
-
Wan, P.1
Budac, D.2
Earle, M.3
Shukla, D.4
-
35
-
-
0039762041
-
-
c) M. Reinsch, U. Howeler, M. Klessinger, Angew. Chem. 1987, 99, 250; Angew. Chem. Int. Ed. Engl. 1987, 26, 238;
-
(1987)
Angew. Chem.
, vol.99
, pp. 250
-
-
Reinsch, M.1
Howeler, U.2
Klessinger, M.3
-
36
-
-
0023312594
-
-
c) M. Reinsch, U. Howeler, M. Klessinger, Angew. Chem. 1987, 99, 250; Angew. Chem. Int. Ed. Engl. 1987, 26, 238;
-
(1987)
Angew. Chem. Int. Ed. Engl.
, vol.26
, pp. 238
-
-
-
37
-
-
0039762040
-
-
d) M. Reinsch, U. Höweler, M. Klessinger, J. Mol. Struct. (Theochem) 1988, 167, 301;
-
(1988)
J. Mol. Struct. (Theochem)
, vol.167
, pp. 301
-
-
Reinsch, M.1
Höweler, U.2
Klessinger, M.3
-
38
-
-
0001868037
-
-
e) M. Klessinger, T. Potter, C. von Wüllen, Theoret. Chim. Acta 1991, 80, 1.
-
(1991)
Theoret. Chim. Acta
, vol.80
, pp. 1
-
-
Klessinger, M.1
Potter, T.2
Von Wüllen, C.3
-
39
-
-
0011742858
-
-
(Eds.: K. P. Lawlay, I. Prigogine, S. A. Rice), Wiley, New York
-
a) H.-J. Werner, in Advances in Chemical Physics-Ab Initio Methods in Quantum Chemistry Vol. II (Eds.: K. P. Lawlay, I. Prigogine, S. A. Rice), Wiley, New York, 1987, 69, 1;
-
(1987)
Advances in Chemical Physics-Ab Initio Methods in Quantum Chemistry
, vol.2-69
, pp. 1
-
-
Werner, H.-J.1
-
40
-
-
0003278204
-
-
(Eds.: K. P. Lawlay, I. Prigogine, S. A. Rice), Wiley, New York
-
b) B. O. Roos, in Advances in Chemical Physics-Ab Initio Methods in Quantum Chemistry Vol. II (Eds.: K. P. Lawlay, I. Prigogine, S. A. Rice), Wiley, New York, 1987, 69, 63;
-
(1987)
Advances in Chemical Physics-Ab Initio Methods in Quantum Chemistry
, vol.2-69
, pp. 63
-
-
Roos, B.O.1
-
42
-
-
0004133516
-
-
Gaussian, Pittsburgh PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian 94, Revision B.2, Gaussian, Pittsburgh PA, 1995.
-
(1995)
Gaussian 94, Revision B.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
43
-
-
0013004607
-
-
K. Andersson, P.-Å. Malmqvist, B. O. Roos, J. Phys. Chem. 1990, 94, 5483.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
-
44
-
-
0000496106
-
-
K. Andersson, P.-Å. Malmqvist, B. O. Roos, J. Phys. Chem. 1991, 96, 1218.
-
(1991)
J. Phys. Chem.
, vol.96
, pp. 1218
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
-
45
-
-
0003392598
-
-
Department of Theoretical Chemistry, Chemistry Center, University of Lund
-
K. Andersson, M. R. A. Blomberg, M. P. Fülscher, G. Karlström, R. Lindh, P.-Å. Malmqvist, P. Neogrády, J. Olsen, B. O. Roos, A. J. Sadley, M. Schutz, L. Seijo, L. Serrano-Andrés, P. E. M. Siegbahn, P.-O. Widmark, MOLCAS Version 4. Department of Theoretical Chemistry, Chemistry Center, University of Lund, 1997.
-
(1997)
MOLCAS Version 4
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Karlström, G.4
Lindh, R.5
Malmqvist, P.-Å.6
Neogrády, P.7
Olsen, J.8
Roos, B.O.9
Sadley, A.J.10
Schutz, M.11
Seijo, L.12
Serrano-Andrés, L.13
Siegbahn, P.E.M.14
Widmark, P.-O.15
-
47
-
-
0040354057
-
-
Theoretical Chemistry, Universitat Stuttgart
-
H.-J. Werner, P. J. Knowles, J. Almlöf, R. D. Amos, A. Berning, M. J. O. Deegan, F. Eckert, S. T. Elbert, C. Hampel, R. Lindh, W. Meyer, A. Nicklass, K. Petersson, R. Piker, A. J. Stone, P. R. Taylqr, M. A. Mura, P. Pulay, M. Schuetz, H. Stoll, T. Thorsteinsson, D. L. Cooper, MOLPRO - A Package of ab-Initio Programs, Version 96.4, Theoretical Chemistry, Universitat Stuttgart, 1996.
-
(1996)
MOLPRO - A Package of Ab-Initio Programs, Version 96.4
-
-
Werner, H.-J.1
Knowles, P.J.2
Almlöf, J.3
Amos, R.D.4
Berning, A.5
Deegan, M.J.O.6
Eckert, F.7
Elbert, S.T.8
Hampel, C.9
Lindh, R.10
Meyer, W.11
Nicklass, A.12
Petersson, K.13
Piker, R.14
Stone, A.J.15
Taylqr, P.R.16
Mura, M.A.17
Pulay, P.18
Schuetz, M.19
Stoll, H.20
Thorsteinsson, T.21
Cooper, D.L.22
more..
-
48
-
-
85080606537
-
-
note
-
The numerals 1-6 refer to the CASSCF-optimized geometries shown in Figure 2. A prime (e.g., 1′) is used to denote geometries optimized on the MNDOC-CI level of theory.
-
-
-
-
49
-
-
0039762031
-
-
W. G. Dauben, J. I. Seeman, P. H. Wendschuh, J. Org. Chem. 1972, 37, 1208.
-
(1972)
J. Org. Chem.
, vol.37
, pp. 1208
-
-
Dauben, W.G.1
Seeman, J.I.2
Wendschuh, P.H.3
-
50
-
-
0001776156
-
-
R. P. Frueholz, R. Rianda, A. Kuppermann, Chem. Phys. Lett. 1978, 55,88.
-
(1978)
Chem. Phys. Lett.
, vol.55
, pp. 88
-
-
Frueholz, R.P.1
Rianda, R.2
Kuppermann, A.3
-
51
-
-
85080505333
-
-
note
-
[130] is 1.96 eV compared with the gas-phase value of 2.29 eV.P[36]
-
-
-
-
54
-
-
0039762027
-
-
I. J. Palma, I. N. Ragazos, F. Bernardi, M. Olivucci, M. A. Robb, J. Am. Chem. Soc. 1993, 115, 673.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 673
-
-
Palma, I.J.1
Ragazos, I.N.2
Bernardi, F.3
Olivucci, M.4
Robb, M.A.5
-
56
-
-
0000703627
-
-
b) R. B. Woodward, R. Hoffmann, Angew. Chem. 1969, 81, 797; Angew. Chem. Int. Ed. Engl. 1969, 8, 781. Received: December 23, 1998 [F1505]
-
(1969)
Angew. Chem.
, vol.81
, pp. 797
-
-
Woodward, R.B.1
Hoffmann, R.2
-
57
-
-
84981778017
-
-
b) R. B. Woodward, R. Hoffmann, Angew. Chem. 1969, 81, 797; Angew. Chem. Int. Ed. Engl. 1969, 8, 781. Received: December 23, 1998 [F1505]
-
(1969)
Angew. Chem. Int. Ed. Engl.
, vol.8
, pp. 781
-
-
|