-
1
-
-
4243720799
-
-
Wiley-VCH Verlag GmbH: D-69469 Weinheim, Germany
-
Balzani, V., Ed. Electron Transfer in Chemisro,; Wiley-VCH Verlag GmbH: D-69469 Weinheim, Germany, 2001; Vols. 1-5.
-
(2001)
Electron Transfer in Chemisro
, vol.1-5
-
-
Balzani, V.1
-
4
-
-
0000415576
-
-
(a) Chattoraj, M.; Laursen, S.L.; Paulson, B.; Chung, D.D.; Closs, G.L.; Levy, D.H. J. Phys. Chem. 1992, 96, 8778-8784.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 8778-8784
-
-
Chattoraj, M.1
Laursen, S.L.2
Paulson, B.3
Chung, D.D.4
Closs, G.L.5
Levy, D.H.6
-
5
-
-
0000847572
-
-
(b) Jortner, J.; Bixon, M.; Wegewijs, B.; Verhoeven, J.W.; Rettschnick, R.P.H. Chem. Phys. Lett. 1993, 205, 451-455.
-
(1993)
Chem. Phys. Lett.
, vol.205
, pp. 451-455
-
-
Jortner, J.1
Bixon, M.2
Wegewijs, B.3
Verhoeven, J.W.4
Rettschnick, R.P.H.5
-
6
-
-
0000337178
-
-
(c) Shou, H.; Alfano, J.C.; van Dantzig, N.A.; Levy, D.H.; Yang, N.C. J. Chem. Phys. 1991, 95, 711-713.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 711-713
-
-
Shou, H.1
Alfano, J.C.2
Van Dantzig, N.A.3
Levy, D.H.4
Yang, N.C.5
-
7
-
-
33748586763
-
-
(d) Brenner, V.; Millie, P.; Piuzzi, F.; Tramer, A.J. Chem. Soc., Faraday Trans. 1997, 93, 3277-3287.
-
(1997)
J. Chem. Soc., Faraday Trans.
, vol.93
, pp. 3277-3287
-
-
Brenner, V.1
Millie, P.2
Piuzzi, F.3
Tramer, A.4
-
8
-
-
0001490108
-
-
(e) Tramer, A.; Brenner, V.; Millie, P.; Piuzzi, F. J. Phys. Chem. A 1998, 102, 2798-2807.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2798-2807
-
-
Tramer, A.1
Brenner, V.2
Millie, P.3
Piuzzi, F.4
-
9
-
-
0001747605
-
-
(f) Van Dantzig, N.A.; Shou, H.; Alfano, J.C.; Yang, N.C.; Levy, D.H. J. Chem. Phys. 1994, 100, 7068-7078.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7068-7078
-
-
Van Dantzig, N.A.1
Shou, H.2
Alfano, J.C.3
Yang, N.C.4
Levy, D.H.5
-
10
-
-
0000104694
-
-
Wiley-VCH Verlag GmbH: D-69469 Weinheim, Germany
-
Balzani, V., Ed. Electron Transfer in Chemistry; Wiley-VCH Verlag GmbH: D-69469 Weinheim, Germany, 2001; Vol. 3, Part 2, p 177.
-
(2001)
Electron Transfer in Chemistry;
, vol.3
, Issue.PART 2
, pp. 177
-
-
Balzani, V.1
-
11
-
-
36549099019
-
-
Lichtenberger, D.L.; Kellogg, G.E.; Kristofzski, J.G.; Page, D.; Turner, S.; Klinger, G. Lorenzen, J. Rev. Sci. Instrum. 1986, 57, 2366.
-
(1986)
Rev. Sci. Instrum.
, vol.57
, pp. 2366
-
-
Lichtenberger, D.L.1
Kellogg, G.E.2
Kristofzski, J.G.3
Page, D.4
Turner, S.5
Klinger, G.6
Lorenzen, J.7
-
12
-
-
0011742124
-
-
Ph.D. Dissertation, University of Arizona
-
Renshaw, S.K. Ph.D. Dissertation, University of Arizona, 1992.
-
(1992)
-
-
Renshaw, S.K.1
-
14
-
-
4244057247
-
-
Schrödinger Inc.: Portland, OR
-
Jaguar version 4.0; Schrödinger Inc.: Portland, OR, 1999.
-
(1999)
Jaguar version 4.0
-
-
-
15
-
-
0004133516
-
-
Gaussian; Inc.: Pittsburgh, pA
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Baboul, A.G.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; 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.; Andres, J.L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E.S.; and Pople, J.A. GAUSSIAN 98, Revision A.9; Gaussian; Inc.: Pittsburgh, pA, 1998.
-
(1998)
GAUSSIAN 98, Revision A.9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.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
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
17
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
18
-
-
0004576860
-
-
There is a simple procedure for scaling the raw calculated values (Martin, J.M.L.; El-Yazal, J.; Francois, J.-P. J. Phys. Chem. 1996, 100, 15358-15367) that accounts for anharmonicities provided that no strong Fermi resonances exist. We use ratios of computed to experimental frequencies of anthracene and phenanthrene as the desired scaling factors and report that they cluster in three groups: an average ratio of 0.956 for the C-H stretches; an estimated ratio of 0.973 for the in-plane bends; and an average ratio of 0.987 for the low-frequency in-plane vibrations. These scaling factors are then applied to the raw calculated frequencies of other molecules.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 15358-15367
-
-
Martin, J.M.L.1
El-Yazal, J.2
Francois, J.-P.3
-
21
-
-
0001640620
-
-
Cornil, J.; Vanderdonckt, S.; Lazzaroni, R.; dos Santos, D.A.; Thys, G.; Geise, H.J.; Yu, L.-M.; Szablewski, M.; Bloor, D.; Lögdlund, M.; Salaneck, W.R.; Gruhn, N.E.; Lichtenberger, D.L.; Lee, P.A.; Armstrong, N.R.; and Brédas, J.L. Chem. Mater. 1999, 11, 2436-2443.
-
(1999)
Chem. Mater.
, vol.11
, pp. 2436-2443
-
-
Cornil, J.1
Vanderdonckt, S.2
Lazzaroni, R.3
Dos Santos, D.A.4
Thys, G.5
Geise, H.J.6
Yu, L.-M.7
Szablewski, M.8
Bloor, D.9
Lögdlund, M.10
Salaneck, W.R.11
Gruhn, N.E.12
Lichtenberger, D.L.13
Lee, P.A.14
Armstrong, N.R.15
Brédas, J.L.16
-
22
-
-
0001530636
-
-
Hush, N.S.; Cheung, A.S.; Hilton, P.R. J. Electron Spectrosc. Relat. Phenom. 1975, 7, 385-400.
-
(1975)
J. Electron Spectrosc. Relat. Phenom.
, vol.7
, pp. 385-400
-
-
Hush, N.S.1
Cheung, A.S.2
Hilton, P.R.3
-
24
-
-
0011769124
-
-
Bree, A.; Solven, F.G.; Vilkos, V.V.B. J. Mol. Spectrosc. 1972, 44, 298-319.
-
(1972)
J. Mol. Spectrosc.
, vol.44
, pp. 298-319
-
-
Bree, A.1
Solven, F.G.2
Vilkos, V.V.B.3
-
25
-
-
0011711553
-
-
Cane, E.; Miani, A.; Palmieri, P.; Tarroni, R.; Trombetti, A. Spectrochim. Acta A 1997, 53, 1839-1851.
-
(1997)
Spectrochim. Acta A
, vol.53
, pp. 1839-1851
-
-
Cane, E.1
Miani, A.2
Palmieri, P.3
Tarroni, R.4
Trombetti, A.5
-
30
-
-
0004161838
-
-
Cambridge University Press: New York
-
Press, W.H.; Flannery, B.P.; Teukolsky, S.A.; Vetterling, W.T. Numerical Recipes, The Art of Scientific Computing, (Fortran Version); Cambridge University Press: New York, 1989; p 383.
-
(1989)
Numerical Recipes, The Art of Scientific Computing, (Fortran Version)
, pp. 383
-
-
Press, W.H.1
Flannery, B.P.2
Teukolsky, S.A.3
Vetterling, W.T.4
-
31
-
-
84957149268
-
-
Karlsson, L.; Mattson, L.; Jadrny, R.; Bergmark, T.; Siegbahn, K. Phys. Scr. 1976, 14, 230-241.
-
(1976)
Phys. Scr.
, vol.14
, pp. 230-241
-
-
Karlsson, L.1
Mattson, L.2
Jadrny, R.3
Bergmark, T.4
Siegbahn, K.5
-
32
-
-
0004041467
-
-
John Wiley & Sons Ltd: Chichester, U.K.
-
Hollas, J.M. Modern Spectroscopy, 3rd ed.; John Wiley & Sons Ltd: Chichester, U.K., 1996; p 270.
-
(1996)
Modern Spectroscopy, 3rd ed.
, pp. 270
-
-
Hollas, J.M.1
-
35
-
-
0000181886
-
-
Markel, F.; Ferris, N.S.; Gould, I.R.; Myers, A.B. J. Am. Chem. Soc. 1992, 114, 6208 6219.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 6208-6219
-
-
Markel, F.1
Ferris, N.S.2
Gould, I.R.3
Myers, A.B.4
|