-
1
-
-
0000847825
-
-
(a) Reid, P. J.; Doig, S. J.; Wickham, S. D.; Mathies, R. A. J. Am. Chem. Soc. 1993, 115, 4754.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 4754
-
-
Reid, P.J.1
Doig, S.J.2
Wickham, S.D.3
Mathies, R.A.4
-
2
-
-
36549090808
-
-
(b) Trulson, M. O.; Dollinger, G. D.; Mathies, R. A. 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
-
3
-
-
0000122163
-
-
(c) Reid, P. J.; Doig, S. J.; Mathies, R. A. Chem. Phys. Lett. 1989, 156, 163.
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 163
-
-
Reid, P.J.1
Doig, S.J.2
Mathies, R.A.3
-
5
-
-
0043195228
-
-
Share, P. E.; Kompa, K. L.; Peyerimhoff, S. D.; Van Hemert, M. C. Chem. Phys. 1988, 120, 411-419.
-
(1988)
Chem. Phys.
, vol.120
, pp. 411-419
-
-
Share, P.E.1
Kompa, K.L.2
Peyerimhoff, S.D.3
Van Hemert, M.C.4
-
7
-
-
4143054706
-
-
(a) Truhlar, D. G.; Steckler, R.; Gordon, M. S. Chem. Rev. 1987, 87, 217.
-
(1987)
Chem. Rev.
, vol.87
, pp. 217
-
-
Truhlar, D.G.1
Steckler, R.2
Gordon, M.S.3
-
10
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh PA
-
(b) The CAS-SCF program we used is implemented in Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 92, Revision B; Gaussian, Inc.: Pittsburgh PA, 1992.
-
(1992)
Gaussian 92, Revision B
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
11
-
-
36448998619
-
-
(a) Andersson, K.; Malmqvist, P.-A.; Ross, B. O. J. Chem. Phys. 1992, 96, 1218.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1218
-
-
Andersson, K.1
Malmqvist, P.-A.2
Ross, B.O.3
-
12
-
-
0003985621
-
-
University of Lund: Sweden
-
(b) Andersson, K.; Blomberg, M. R. A.; Fülscher, M.; Kellö, V.; Lindh, R.; Malmqvist, P.-A.; Noga, J.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Siegbahn, P. E. M.; Urban, M.; Widmark, P. O. MOLCAS, Version 2; University of Lund: Sweden, 1991.
-
(1991)
MOLCAS, Version 2
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.3
Kellö, V.4
Lindh, R.5
Malmqvist, P.-A.6
Noga, J.7
Olsen, J.8
Roos, B.O.9
Sadlej, A.J.10
Siegbahn, P.E.M.11
Urban, M.12
Widmark, P.O.13
-
13
-
-
85087581315
-
-
7 in an ANO basis set (see also Supporting Information).
-
Gaussian 92
-
-
-
15
-
-
2542578071
-
-
(a) Orlandi, G.; Zerbetto, F.; Zgierski, M. Z. Chem. Rev. 1991, 91, 867.
-
(1991)
Chem. Rev.
, vol.91
, pp. 867
-
-
Orlandi, G.1
Zerbetto, F.2
Zgierski, M.Z.3
-
17
-
-
85087581576
-
-
note
-
cZc-HT and m(s) and E(s) are the corresponding effective reduced mass and potential energy along the MEPs.
-
-
-
-
18
-
-
0001912736
-
-
Spiro, T. G., Ed.; Wiley-Interscience: New York
-
Myers, A. B.; Mathies, R. A. In Biological Application of Raman Spectroscopy; Spiro, T. G., Ed.; Wiley-Interscience: New York, 1987; Vol. 2, p 1-58.
-
(1987)
Biological Application of Raman Spectroscopy
, vol.2
, pp. 1-58
-
-
Myers, A.B.1
Mathies, R.A.2
-
19
-
-
0001494773
-
-
-1 has been recently observed. See Pullen, S.; Walker, L. A., II; Donovan, B.; Sension, R. J. Chem. Phys. Lett. 1995, 242, 415-420. A 5.2 ps appearance time for the cZc-previtamin D (produced by irradiation of the CHD derivative 7-dehydrocholesterol) has been reported.
-
(1995)
Chem. Phys. Lett.
, vol.242
, pp. 415-420
-
-
Pullen, S.1
Walker II, L.A.2
Donovan, B.3
Sension, R.J.4
-
20
-
-
33645865492
-
-
See Fuss, W.; Höfer, T.; Kompa, K. L.; Lochbrunner, S.; Schikarski, T.; Schmid, W. E. J. Phys. Chem. 1996, 100, 921-927.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 921-927
-
-
Fuss, W.1
Höfer, T.2
Kompa, K.L.3
Lochbrunner, S.4
Schikarski, T.5
Schmid, W.E.6
|