-
1
-
-
0000070078
-
Theory of light absorption and non-radiative transitions in F-centres
-
Huang K, Rhys A. Theory of light absorption and non-radiative transitions in F-centres. Proc Roy Soc London A 1950, 204:406-423.
-
(1950)
Proc Roy Soc London A
, vol.204
, pp. 406-423
-
-
Huang, K.1
Rhys, A.2
-
2
-
-
36849135354
-
The Franck-Condon principle and its application to crystals
-
Lax M. The Franck-Condon principle and its application to crystals. J Chem Phys 1952, 20:1752-1760.
-
(1952)
J Chem Phys
, vol.20
, pp. 1752-1760
-
-
Lax, M.1
-
3
-
-
0001416042
-
Thermal ionization of trapped electrons
-
Kubo R. Thermal ionization of trapped electrons. Phys Rev 1952, 86:929-937.
-
(1952)
Phys Rev
, vol.86
, pp. 929-937
-
-
Kubo, R.1
-
4
-
-
0001494018
-
Application of the method of generating function to radiative and non-radiative transitions of a trapped electron in a crystal
-
Kubo R, Toyozawa Y. Application of the method of generating function to radiative and non-radiative transitions of a trapped electron in a crystal. Prog Theor Phys 1955, 13:160-182.
-
(1955)
Prog Theor Phys
, vol.13
, pp. 160-182
-
-
Kubo, R.1
Toyozawa, Y.2
-
5
-
-
0010884753
-
On the oxidation-reduction reactions involving electron transfer
-
Marcus RA. On the oxidation-reduction reactions involving electron transfer. J Chem Phys 1956, 24:966-978.
-
(1956)
J Chem Phys
, vol.24
, pp. 966-978
-
-
Marcus, R.A.1
-
6
-
-
0000026126
-
On the theory of oxidation-reduction reactions involving electron transfer. II. Applications to data on the rates of isotopic exchange reactions
-
Marcus RA. On the theory of oxidation-reduction reactions involving electron transfer. II. Applications to data on the rates of isotopic exchange reactions. J Chem Phys 1957, 26:867-871.
-
(1957)
J Chem Phys
, vol.26
, pp. 867-871
-
-
Marcus, R.A.1
-
7
-
-
0001672288
-
Chemical and electrochemical electron-transfer theory
-
Marcus RA. Chemical and electrochemical electron-transfer theory. Annu Rev Phys Chem 1964, 15:155-196.
-
(1964)
Annu Rev Phys Chem
, vol.15
, pp. 155-196
-
-
Marcus, R.A.1
-
8
-
-
0000625279
-
Kinetics of reactions with charge transport
-
Eyring H, Henderson D, Long H eds. New York: Accademic Press;
-
Levich VG. Kinetics of reactions with charge transport. In: Eyring H, Henderson D, Long H eds. Physical Chemistry an Advanced Treatise vol IXB/Electrochemistry. New York: Accademic Press; 1970, 985-1074.
-
(1970)
Physical Chemistry an Advanced Treatise vol IXB/Electrochemistry
, pp. 985-1074
-
-
Levich, V.G.1
-
9
-
-
0019084947
-
Quantum mechanical tunnelling in biological systems
-
Devault D. Quantum mechanical tunnelling in biological systems. Q Rev Biophys 1980, 13:387-564.
-
(1980)
Q Rev Biophys
, vol.13
, pp. 387-564
-
-
Devault, D.1
-
10
-
-
0011526199
-
Electron transfer-from isolated molecules to biomolecules
-
Bixon M, Jortner J. Electron transfer-from isolated molecules to biomolecules. Adv Chem Phys 1999, 106:35-203.
-
(1999)
Adv Chem Phys
, vol.106
, pp. 35-203
-
-
Bixon, M.1
Jortner, J.2
-
12
-
-
0007836334
-
Dynamics of reactions in polar solvents. Semiclassical trajectories studies of electron transfer and proton transfer reactions
-
Warshel A. Dynamics of reactions in polar solvents. Semiclassical trajectories studies of electron transfer and proton transfer reactions. J Phys Chem 1982, 86:2218-2224.
-
(1982)
J Phys Chem
, vol.86
, pp. 2218-2224
-
-
Warshel, A.1
-
13
-
-
0024445808
-
Dispersed polaron simulations of electron transfer in photosynthetic reaction centers
-
Warshel A, Chu Z, Parson W. Dispersed polaron simulations of electron transfer in photosynthetic reaction centers. Science 1989, 246:112-116.
-
(1989)
Science
, vol.246
, pp. 112-116
-
-
Warshel, A.1
Chu, Z.2
Parson, W.3
-
14
-
-
0026265130
-
Computer simulations of electron transfer reactions in solution and photosynthetic reaction centers
-
Warshel A, Parson WW. Computer simulations of electron transfer reactions in solution and photosynthetic reaction centers. Ann Rev Phys Chem 1991, 42:279-399.
-
(1991)
Ann Rev Phys Chem
, vol.42
, pp. 279-399
-
-
Warshel, A.1
Parson, W.W.2
-
15
-
-
0035707451
-
Dynamics of biochemical and biophysical reactions: insight from computer simulations
-
Warshel A, Parson WW. Dynamics of biochemical and biophysical reactions: insight from computer simulations. Q Rev Biophys 2001, 34:563-679.
-
(2001)
Q Rev Biophys
, vol.34
, pp. 563-679
-
-
Warshel, A.1
Parson, W.W.2
-
16
-
-
23244437213
-
Role of intramolecular vibrations in long-range electron transfer between pheophytin and ubiquinone in bacterial photosynthetic reaction centers
-
Borrelli R Di Donato M, Peluso A. Role of intramolecular vibrations in long-range electron transfer between pheophytin and ubiquinone in bacterial photosynthetic reaction centers. Biophys J 2005, 89:830-841.
-
(2005)
Biophys J
, vol.89
, pp. 830-841
-
-
Borrelli, R.1
Di Donato, M.2
Peluso, A.3
-
17
-
-
32544451955
-
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces: Coumarin 343 at titanium oxide
-
Kondov I, Thoss M, Wang H. Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces: Coumarin 343 at titanium oxide. J Phys Chem A 2006, 110:1364-1374.
-
(2006)
J Phys Chem A
, vol.110
, pp. 1364-1374
-
-
Kondov, I.1
Thoss, M.2
Wang, H.3
-
18
-
-
35648937649
-
Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces
-
Thoss M, Kondov I, Wang H. Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces. Phys Rev B 2007, 76:153313-153314.
-
(2007)
Phys Rev B
, vol.76
, pp. 153313-153314
-
-
Thoss, M.1
Kondov, I.2
Wang, H.3
-
20
-
-
36148948174
-
Quantum dynamics of electron transfer from bacteriochlorophyll to pheophytin in bacterial reaction centers
-
Borrelli R, DiDonato M, Peluso A. Quantum dynamics of electron transfer from bacteriochlorophyll to pheophytin in bacterial reaction centers. J Chem Theory Comput 2007, 3:673-680.
-
(2007)
J Chem Theory Comput
, vol.3
, pp. 673-680
-
-
Borrelli, R.1
DiDonato, M.2
Peluso, A.3
-
21
-
-
77949391054
-
Towards ab initio computations of electron transfer rates: the early electron transfer steps in bacterial photosynthetic reaction centers
-
Peluso A. Towards ab initio computations of electron transfer rates: the early electron transfer steps in bacterial photosynthetic reaction centers. Curr Org Chem 2010, 14:90-105.
-
(2010)
Curr Org Chem
, vol.14
, pp. 90-105
-
-
Peluso, A.1
-
23
-
-
79951932191
-
The temperature dependence of radiationless transition rates from ab initio computations
-
Borrelli R, Peluso A. The temperature dependence of radiationless transition rates from ab initio computations. Phys Chem Chem Phys 2011, 13:4420-4426.
-
(2011)
Phys Chem Chem Phys
, vol.13
, pp. 4420-4426
-
-
Borrelli, R.1
Peluso, A.2
-
24
-
-
0040353151
-
Exchange reactions and electron transfer reactions including isotopic exchange. Theory of oxidation-reduction reactions involving electron transfer. Part 4. A statistical-mechanical basis for treating contributions from solvent, ligands, and inert salt
-
Marcus RA. Exchange reactions and electron transfer reactions including isotopic exchange. Theory of oxidation-reduction reactions involving electron transfer. Part 4. A statistical-mechanical basis for treating contributions from solvent, ligands, and inert salt. Discuss Faraday Soc 1960, 29:21-31.
-
(1960)
Discuss Faraday Soc
, vol.29
, pp. 21-31
-
-
Marcus, R.A.1
-
25
-
-
36849118773
-
On the theory of electron-transfer reactions. VI. Unified treatment for homogeneous and electrode reactions
-
Marcus RA. On the theory of electron-transfer reactions. VI. Unified treatment for homogeneous and electrode reactions. J Chem Phys 1965, 43:679-701.
-
(1965)
J Chem Phys
, vol.43
, pp. 679-701
-
-
Marcus, R.A.1
-
26
-
-
0000397602
-
On the theory of intramolecular energy transfer
-
Marcus RA. On the theory of intramolecular energy transfer. Faraday Disc Chem Soc 1983, 75:103-115.
-
(1983)
Faraday Disc Chem Soc
, vol.75
, pp. 103-115
-
-
Marcus, R.A.1
-
28
-
-
33847079599
-
Dynamical effects in electron transfer reactions
-
Sumi H, Marcus RA. Dynamical effects in electron transfer reactions. J Chem Phys 1986, 84:4894-4914.
-
(1986)
J Chem Phys
, vol.84
, pp. 4894-4914
-
-
Sumi, H.1
Marcus, R.A.2
-
29
-
-
33748216903
-
Electron transfer reactions in chemistry: theory and experiment (Nobel lecture)
-
Marcus RA. Electron transfer reactions in chemistry: theory and experiment (Nobel lecture). AngewChem Int Ed 1993, 32:1111-1121.
-
(1993)
AngewChem Int Ed
, vol.32
, pp. 1111-1121
-
-
Marcus, R.A.1
-
30
-
-
0041512586
-
Intramolecular long-distance electron transfer in radical anions. The effects of free energy and solvent on the reaction rates
-
Miller JR, Calcaterra LT, Closs GL. Intramolecular long-distance electron transfer in radical anions. The effects of free energy and solvent on the reaction rates. J Am Chem Soc 1984, 106:3047-3049.
-
(1984)
J Am Chem Soc
, vol.106
, pp. 3047-3049
-
-
Miller, J.R.1
Calcaterra, L.T.2
Closs, G.L.3
-
31
-
-
0003030312
-
Present state of the theory of oxidation-reduction in solution (bulk and electrode reactions)
-
Levich VG. Present state of the theory of oxidation-reduction in solution (bulk and electrode reactions). Adv Electrochem Electrochem Eng 1966, 4:249-371.
-
(1966)
Adv Electrochem Electrochem Eng
, vol.4
, pp. 249-371
-
-
Levich, V.G.1
-
32
-
-
0002636472
-
Zur Theorie der Energieubertragung. II
-
Landau L. Zur Theorie der Energieubertragung. II. Physik Z Sowjetunion 1932, 2:46-51.
-
(1932)
Physik Z Sowjetunion
, vol.2
, pp. 46-51
-
-
Landau, L.1
-
33
-
-
0001332554
-
Non-adiabatic crossing of energy levels
-
Zener C. Non-adiabatic crossing of energy levels. Proc Roy Soc London A 1932, 137:696-702.
-
(1932)
Proc Roy Soc London A
, vol.137
, pp. 696-702
-
-
Zener, C.1
-
34
-
-
0016273342
-
Electron transfer between biological molecules by thermal activated tunneling
-
Hopfield JJ. Electron transfer between biological molecules by thermal activated tunneling. Proc Natl Acad Sci USA 1974, 71:3640-3644.
-
(1974)
Proc Natl Acad Sci USA
, vol.71
, pp. 3640-3644
-
-
Hopfield, J.J.1
-
35
-
-
84981779372
-
Zwischenmolekulare Energiewanderung und Fluoreszenz
-
Förster T. Zwischenmolekulare Energiewanderung und Fluoreszenz. Ann Phys (Berlin) 1948, 437:55-75.
-
(1948)
Ann Phys (Berlin)
, vol.437
, pp. 55-75
-
-
Förster, T.1
-
36
-
-
18244397526
-
A theory of sensitized luminescence in solids
-
Dexter DL. A theory of sensitized luminescence in solids. J Chem Phys 1953, 21:836-850.
-
(1953)
J Chem Phys
, vol.21
, pp. 836-850
-
-
Dexter, D.L.1
-
37
-
-
1542382717
-
Simulation of the dynamics of electron transfer reactions in polar solvents: semiclassical trajectories and dispersed polaron approaches
-
Warshel A, Hwang JK. Simulation of the dynamics of electron transfer reactions in polar solvents: semiclassical trajectories and dispersed polaron approaches. J Chem Phys 1986, 84:4938-4957.
-
(1986)
J Chem Phys
, vol.84
, pp. 4938-4957
-
-
Warshel, A.1
Hwang, J.K.2
-
39
-
-
0001266965
-
Resonant energy transfer between localized electronic states in a crystal
-
Soules TF, Duke CB. Resonant energy transfer between localized electronic states in a crystal. Phys Rev B 1971, 3:262-274.
-
(1971)
Phys Rev B
, vol.3
, pp. 262-274
-
-
Soules, T.F.1
Duke, C.B.2
-
40
-
-
33750193907
-
Thermal electron transfer reactions in polar solvents
-
Kestner NR, Logan J, Jortner J. Thermal electron transfer reactions in polar solvents. J Phys Chem 1974, 78:2148-2166.
-
(1974)
J Phys Chem
, vol.78
, pp. 2148-2166
-
-
Kestner, N.R.1
Logan, J.2
Jortner, J.3
-
41
-
-
36749105258
-
Temperature dependent activation energy for electron transfer between biological molecules
-
Jortner J. Temperature dependent activation energy for electron transfer between biological molecules. J Chem Phys 1976, 64:4860-4867.
-
(1976)
J Chem Phys
, vol.64
, pp. 4860-4867
-
-
Jortner, J.1
-
42
-
-
2742548357
-
The effect of intramolecular quantum modes on free energy relationships for electron transfer reactions
-
Ulstrup J, Jortner J. The effect of intramolecular quantum modes on free energy relationships for electron transfer reactions. J Chem Phys 1975, 63:4358-4368.
-
(1975)
J Chem Phys
, vol.63
, pp. 4358-4368
-
-
Ulstrup, J.1
Jortner, J.2
-
43
-
-
84983867400
-
On the theory of nonradiative transitions in polar media I. Processes without "mixing" of quantum and classical degrees of freedom
-
Dogonadze RR, Kuznetsov AM, Vorotyntsev MA. On the theory of nonradiative transitions in polar media I. Processes without "mixing" of quantum and classical degrees of freedom. Physica Status Solidi (b) 1972, 54:125-134.
-
(1972)
Physica Status Solidi (b)
, vol.54
, pp. 125-134
-
-
Dogonadze, R.R.1
Kuznetsov, A.M.2
Vorotyntsev, M.A.3
-
44
-
-
0019879153
-
A possible new mechanism of temperature dependence of electron transfer in photosynthetic systems
-
Kakitani T, Kakitani H. A possible new mechanism of temperature dependence of electron transfer in photosynthetic systems. Biochim Biophys Acta, Bioener 1981, 635:498-514.
-
(1981)
Biochim Biophys Acta, Bioener
, vol.635
, pp. 498-514
-
-
Kakitani, T.1
Kakitani, H.2
-
45
-
-
0008028678
-
A Fermi golden rule, Liouville-space approach to the study of intramolecular electron transfer rate in solution
-
Lami A, Santoro F. A Fermi golden rule, Liouville-space approach to the study of intramolecular electron transfer rate in solution. J Chem Phys 1997, 106:94-108.
-
(1997)
J Chem Phys
, vol.106
, pp. 94-108
-
-
Lami, A.1
Santoro, F.2
-
46
-
-
0015475576
-
On the theory of nonradiative transitions in polar media II. Processes with "mixing" of quantum and classical degrees of freedom
-
Dogonadze RR, Kuznetsov AM, Vorotyntsev MA. On the theory of nonradiative transitions in polar media II. Processes with "mixing" of quantum and classical degrees of freedom. Physica Status Solidi (b) 1972, 54:425-433.
-
(1972)
Physica Status Solidi (b)
, vol.54
, pp. 425-433
-
-
Dogonadze, R.R.1
Kuznetsov, A.M.2
Vorotyntsev, M.A.3
-
47
-
-
0022365315
-
Temperature and detection-wavelength dependence of the picosecond electron transfer kinetics measured in Rhodopseudomonas sphaeroides reaction centers. Resolution of new spectral and kinetic components in the primary charge separation process
-
Kirmaier C, Holten D, Parson WW. Temperature and detection-wavelength dependence of the picosecond electron transfer kinetics measured in Rhodopseudomonas sphaeroides reaction centers. Resolution of new spectral and kinetic components in the primary charge separation process. Biochim Biophys Acta 1985, 810:33-48.
-
(1985)
Biochim Biophys Acta
, vol.810
, pp. 33-48
-
-
Kirmaier, C.1
Holten, D.2
Parson, W.W.3
-
48
-
-
0000004901
-
Coupling of protein modes to electron transfer in bacterial photosynthesis
-
Bixon M, Jortner J. Coupling of protein modes to electron transfer in bacterial photosynthesis. J Phys Chem 1986, 90:3795-3800.
-
(1986)
J Phys Chem
, vol.90
, pp. 3795-3800
-
-
Bixon, M.1
Jortner, J.2
-
49
-
-
0013009247
-
On the theory of photoinduced intramolecular electron transfer
-
Islampour R, Lin SH. On the theory of photoinduced intramolecular electron transfer. J Phys Chem 1991, 95:10261-10266.
-
(1991)
J Phys Chem
, vol.95
, pp. 10261-10266
-
-
Islampour, R.1
Lin, S.H.2
-
50
-
-
0001046743
-
Ab initio calculations of vibronic spectra and dynamics for small polyatomic molecules: role of Duschinsky effect
-
Mebel AM, Hayashi M, Liang KK, Lin SH. Ab initio calculations of vibronic spectra and dynamics for small polyatomic molecules: role of Duschinsky effect. J Phys Chem A 1999, 103:10674-10690.
-
(1999)
J Phys Chem A
, vol.103
, pp. 10674-10690
-
-
Mebel, A.M.1
Hayashi, M.2
Liang, K.K.3
Lin, S.H.4
-
51
-
-
0034299526
-
Modeling the free energy surfaces of electron transfer in condensed phases
-
Matyushov DV, Voth GA. Modeling the free energy surfaces of electron transfer in condensed phases. J Chem Phys 2000, 113:5413-5424.
-
(2000)
J Chem Phys
, vol.113
, pp. 5413-5424
-
-
Matyushov, D.V.1
Voth, G.A.2
-
52
-
-
0038450220
-
The theory of electron transfer reactions: what may be missing
-
Small DW, Matyushov DV, Voth GA. The theory of electron transfer reactions: what may be missing? J Am Chem Soc 2003, 125:7470-7478.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 7470-7478
-
-
Small, D.W.1
Matyushov, D.V.2
Voth, G.A.3
-
53
-
-
0141959799
-
Influence of frequency shifts on electron transfer processes
-
Freed KF. Influence of frequency shifts on electron transfer processes. J Phys Chem B 2003, 107:10341-10343.
-
(2003)
J Phys Chem B
, vol.107
, pp. 10341-10343
-
-
Freed, K.F.1
-
54
-
-
51149208719
-
Franck-Condon factors for polyatomic molecules
-
Sharp TE, Rosenstock KM. Franck-Condon factors for polyatomic molecules. J Chem Phys 1964, 41:3453-3463.
-
(1964)
J Chem Phys
, vol.41
, pp. 3453-3463
-
-
Sharp, T.E.1
Rosenstock, K.M.2
-
55
-
-
0002911712
-
Vibrational structure of electronic transitions in conjugated molecules
-
Warshel A, Karplus M. Vibrational structure of electronic transitions in conjugated molecules. Chem Phys Lett 1972, 17:7-14.
-
(1972)
Chem Phys Lett
, vol.17
, pp. 7-14
-
-
Warshel, A.1
Karplus, M.2
-
56
-
-
0001412589
-
Calculations of resonance Raman spectra of conjugated molecules
-
Warshel A, Dauber P. Calculations of resonance Raman spectra of conjugated molecules. J Chem Phys 1977, 66:5477-5488.
-
(1977)
J Chem Phys
, vol.66
, pp. 5477-5488
-
-
Warshel, A.1
Dauber, P.2
-
57
-
-
18344379997
-
Dynamical symmetry of vibronic transitions in polyatomic molecules and the Franck-Condon principle
-
Doktorov EV, Malkin IA, Man'ko VI. Dynamical symmetry of vibronic transitions in polyatomic molecules and the Franck-Condon principle. J Mol Spec 1977, 64:302-326.
-
(1977)
J Mol Spec
, vol.64
, pp. 302-326
-
-
Doktorov, E.V.1
Malkin, I.A.2
Man'ko, V.I.3
-
58
-
-
0011148045
-
Vibronic coupling in electronic transitions with significant Duschinsky effect
-
Peluso A, Santoro F, Del Re G. Vibronic coupling in electronic transitions with significant Duschinsky effect. Int J Quant Chem 1997, 63:233-244.
-
(1997)
Int J Quant Chem
, vol.63
, pp. 233-244
-
-
Peluso, A.1
Santoro, F.2
Del Re, G.3
-
59
-
-
0242271460
-
Derivation and efficient implementation of a recursion formula to calculate harmonic Franck-Condon factors for polyatomic molecules
-
Hazra A, Nooijen M. Derivation and efficient implementation of a recursion formula to calculate harmonic Franck-Condon factors for polyatomic molecules. Int J Quantum Chem 2003, 95:643-657.
-
(2003)
Int J Quantum Chem
, vol.95
, pp. 643-657
-
-
Hazra, A.1
Nooijen, M.2
-
60
-
-
0242593999
-
Dynamics of radiationless transitions in large molecular systems: a Franck-Condon based method accounting for displacements and rotations of all the normal coordinates
-
Borrelli R, Peluso A. Dynamics of radiationless transitions in large molecular systems: a Franck-Condon based method accounting for displacements and rotations of all the normal coordinates. J Chem Phys 2003, 119:8437-8448.
-
(2003)
J Chem Phys
, vol.119
, pp. 8437-8448
-
-
Borrelli, R.1
Peluso, A.2
-
61
-
-
49749140411
-
Perturbative calculation of Franck-Condon integrals: new hints for a rational implementation
-
Borrelli R, Peluso A. Perturbative calculation of Franck-Condon integrals: new hints for a rational implementation. J Chem Phys 2008, 129:064116-7.
-
(2008)
J Chem Phys
, vol.129
, pp. 064116-064117
-
-
Borrelli, R.1
Peluso, A.2
-
62
-
-
0001024508
-
On the interpretation of electronic spectra of polyatomic molecules. I. Concerning the Franck-Condon principle
-
Duschinsky F. On the interpretation of electronic spectra of polyatomic molecules. I. Concerning the Franck-Condon principle. Acta Phisicochim URSS 1937, 7:551-566.
-
(1937)
Acta Phisicochim URSS
, vol.7
, pp. 551-566
-
-
Duschinsky, F.1
-
63
-
-
33645828539
-
Dynamical symmetry of vibronic transitions in polyatomic molecules and the Franck-Condon principle
-
Doktorov EV, Malkin IA, Manko VI. Dynamical symmetry of vibronic transitions in polyatomic molecules and the Franck-Condon principle. J Mol Spec 1975, 56:1-20.
-
(1975)
J Mol Spec
, vol.56
, pp. 1-20
-
-
Doktorov, E.V.1
Malkin, I.A.2
Manko, V.I.3
-
64
-
-
33845317908
-
The vibrational progressions of the N → V electronic transition of ethylene. A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules
-
Borrelli R, Peluso A. The vibrational progressions of the N → V electronic transition of ethylene. A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules. J Chem Phys 2006, 125:194308-8.
-
(2006)
J Chem Phys
, vol.125
, pp. 194308-194308
-
-
Borrelli, R.1
Peluso, A.2
-
65
-
-
38849086801
-
-: a test case for the computation of Franck-Condon factors of highly flexible molecules
-
-: a test case for the computation of Franck-Condon factors of highly flexible molecules. J Chem Phys 2008, 128:044303-7.
-
(2008)
J Chem Phys
, vol.128
, pp. 044303-044307
-
-
Borrelli, R.1
Peluso, A.2
-
66
-
-
73949157590
-
Photoelectron spectrum of ammonia, a test case for the calculation of Franck-Condon factors in molecules undergoing large geometrical displacements upon photoionization
-
Peluso A, Borrelli R, Capobianco A. Photoelectron spectrum of ammonia, a test case for the calculation of Franck-Condon factors in molecules undergoing large geometrical displacements upon photoionization? J Phys Chem A 2009, 113:14831-14837.
-
(2009)
J Phys Chem A
, vol.113
, pp. 14831-14837
-
-
Peluso, A.1
Borrelli, R.2
Capobianco, A.3
-
67
-
-
84857469110
-
Franck-Condon factors in curvilinear coordinates: the photoelectron spectrum of ammonia
-
Capobianco A, Borrelli R, Noce C, Peluso A. Franck-Condon factors in curvilinear coordinates: the photoelectron spectrum of ammonia. Theor Chem Acc 2012, 131:1181-10.
-
(2012)
Theor Chem Acc
, vol.131
, pp. 1181-1110
-
-
Capobianco, A.1
Borrelli, R.2
Noce, C.3
Peluso, A.4
-
68
-
-
0017851927
-
On the use of windows for harmonic analysis with the discrete Fourier transform
-
Harris F. On the use of windows for harmonic analysis with the discrete Fourier transform. Proc IEEE 1978, 66:51-83.
-
(1978)
Proc IEEE
, vol.66
, pp. 51-83
-
-
Harris, F.1
-
69
-
-
84913462333
-
Modeling the activation energy and dynamics of electron transfer reactions in proteins
-
eds. E. Clementi, G. Corongiu, M. H. Sarma and R. H Sarma, Guilderland, N.Y.: Adenine Press;
-
Churg AK, Warshel A. Modeling the activation energy and dynamics of electron transfer reactions in proteins. In: Structure and Motion: Membranes, Nucleic Acid and Proteins eds. E. Clementi, G. Corongiu, M. H. Sarma and R. H Sarma, Guilderland, N.Y.: Adenine Press; 1985, 361.
-
(1985)
Structure and Motion: Membranes, Nucleic Acid and Proteins
, pp. 361
-
-
Churg, A.K.1
Warshel, A.2
-
70
-
-
0000354626
-
Investigation of the free energy functions for electron transfer reactions
-
King G, Warshel A. Investigation of the free energy functions for electron transfer reactions. J Chem Phys 1990, 93:8682-8692.
-
(1990)
J Chem Phys
, vol.93
, pp. 8682-8692
-
-
King, G.1
Warshel, A.2
-
71
-
-
18344380226
-
Quantum tunnelling in a dissipative system
-
Caldeira AO, Leggett AJ. Quantum tunnelling in a dissipative system. Ann Phys 1983, 149:374-456.
-
(1983)
Ann Phys
, vol.149
, pp. 374-456
-
-
Caldeira, A.O.1
Leggett, A.J.2
-
72
-
-
33750926031
-
Dynamics of the dissipative two-state system
-
Leggett AJ, Chakravarty S, Dorsey AT, Fisher MP, Zwerger W. Dynamics of the dissipative two-state system. Rev Mod Phys 1987, 59:1-85.
-
(1987)
Rev Mod Phys
, vol.59
, pp. 1-85
-
-
Leggett, A.J.1
Chakravarty, S.2
Dorsey, A.T.3
Fisher, M.P.4
Zwerger, W.5
-
73
-
-
0031566420
-
On the relationship between the dispersed polaron and spin-boson models
-
Hwang JK, Warshel A. On the relationship between the dispersed polaron and spin-boson models. Chem Phys Lett 1997, 271:223-225.
-
(1997)
Chem Phys Lett
, vol.271
, pp. 223-225
-
-
Hwang, J.K.1
Warshel, A.2
-
74
-
-
0037042612
-
On the relation of protein dynamics and exciton relaxation in pigment-protein complexes: an estimation of the spectral density and a theory for the calculation of optical spectra
-
Renger T, Marcus RA. On the relation of protein dynamics and exciton relaxation in pigment-protein complexes: an estimation of the spectral density and a theory for the calculation of optical spectra. J Chem Phys 2002, 116:9997-10019.
-
(2002)
J Chem Phys
, vol.116
, pp. 9997-10019
-
-
Renger, T.1
Marcus, R.A.2
-
75
-
-
36549095460
-
Effect of friction on electron transfer in biomolecules
-
Garg A, Onuchic JN, Ambegaokar V. Effect of friction on electron transfer in biomolecules. J Chem Phys 1985, 83:4491-4503.
-
(1985)
J Chem Phys
, vol.83
, pp. 4491-4503
-
-
Garg, A.1
Onuchic, J.N.2
Ambegaokar, V.3
-
76
-
-
24344466916
-
Intramolecular reorganization energies and Franck-Condon integrals for ET from pheophytin to quinone in bacterial photosynthetic reaction centers
-
Borrelli R Di Donato M, Peluso A. Intramolecular reorganization energies and Franck-Condon integrals for ET from pheophytin to quinone in bacterial photosynthetic reaction centers. Chem Phys Lett 2005, 413:210-215.
-
(2005)
Chem Phys Lett
, vol.413
, pp. 210-215
-
-
Borrelli, R.1
Di Donato, M.2
Peluso, A.3
-
77
-
-
34247577601
-
Electron transfer rates and Franck-Condon factors: an application to the early electron transfer steps in photosynthetic reaction centers
-
Borrelli R, Di Donato M, Peluso A. Electron transfer rates and Franck-Condon factors: an application to the early electron transfer steps in photosynthetic reaction centers. Theor Chem Acc 2007, 117:957-967.
-
(2007)
Theor Chem Acc
, vol.117
, pp. 957-967
-
-
Borrelli, R.1
Di Donato, M.2
Peluso, A.3
-
78
-
-
1042290526
-
Dynamics of the spin-boson model with a structured environment
-
Thorwart M, Paladino E, Grifoni M. Dynamics of the spin-boson model with a structured environment. Chem Phys 2004, 296:333-344.
-
(2004)
Chem Phys
, vol.296
, pp. 333-344
-
-
Thorwart, M.1
Paladino, E.2
Grifoni, M.3
-
79
-
-
0000062402
-
Protein electron transfer reorganization energy spectrum from normal mode analysis. 1. Theory
-
Basu G, Kitao A, Kuki A, Go N. Protein electron transfer reorganization energy spectrum from normal mode analysis. 1. Theory. J Phys Chem B 1998, 102:2076-2084.
-
(1998)
J Phys Chem B
, vol.102
, pp. 2076-2084
-
-
Basu, G.1
Kitao, A.2
Kuki, A.3
Go, N.4
-
80
-
-
0000114529
-
Computer simulation of photochemically induced electron transfer
-
Bader JS, Chandler D. Computer simulation of photochemically induced electron transfer. Chem Phys Lett 1989, 157:501-504.
-
(1989)
Chem Phys Lett
, vol.157
, pp. 501-504
-
-
Bader, J.S.1
Chandler, D.2
-
81
-
-
36549104316
-
Role of nuclear tunneling in aqueous ferrous-ferric electron transfer
-
Bader JS, Kuharski RA, Chandler D. Role of nuclear tunneling in aqueous ferrous-ferric electron transfer. J Chem Phys 1990, 93:230-236.
-
(1990)
J Chem Phys
, vol.93
, pp. 230-236
-
-
Bader, J.S.1
Kuharski, R.A.2
Chandler, D.3
-
82
-
-
0000175468
-
Quantum simulations of conformation reorganization in the electron transfer reactions of tuna cytochrome c
-
Zheng C, McCammon J, Wolynes PG. Quantum simulations of conformation reorganization in the electron transfer reactions of tuna cytochrome c. Chem Phys 1991, 158:261-270.
-
(1991)
Chem Phys
, vol.158
, pp. 261-270
-
-
Zheng, C.1
McCammon, J.2
Wolynes, P.G.3
-
83
-
-
0347281470
-
Diabatic surfaces, the pathway for primary electron transfer in a photosynthetic reaction center
-
Marchi M, Gehlen JN, Chandler D, Newton M. Diabatic surfaces, the pathway for primary electron transfer in a photosynthetic reaction center. J Am Chem Soc 1993, 115:4178-4190.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 4178-4190
-
-
Marchi, M.1
Gehlen, J.N.2
Chandler, D.3
Newton, M.4
-
84
-
-
21744452904
-
Coupling of protein motion to electron transfer in a photosynthetic reaction center: investigating the low temperature behavior in the framework of the spin-boson model
-
Xu D, Schulten K. Coupling of protein motion to electron transfer in a photosynthetic reaction center: investigating the low temperature behavior in the framework of the spin-boson model. Chem Phys 1994, 182:91-117.
-
(1994)
Chem Phys
, vol.182
, pp. 91-117
-
-
Xu, D.1
Schulten, K.2
-
85
-
-
0042419182
-
Unitary quantum time evolution by iterative Lanczos reduction
-
Park JT, Light JC. Unitary quantum time evolution by iterative Lanczos reduction. J Chem Phys 1986, 85:5870-5876.
-
(1986)
J Chem Phys
, vol.85
, pp. 5870-5876
-
-
Park, J.T.1
Light, J.C.2
-
86
-
-
0000275267
-
Quantum mechanical and semiclassical dynamics at a conical intersection
-
Ferretti A, Granucci G, Lami A, Persico M, Villani G. Quantum mechanical and semiclassical dynamics at a conical intersection. J Chem Phys 1996, 104:5517-5527.
-
(1996)
J Chem Phys
, vol.104
, pp. 5517-5527
-
-
Ferretti, A.1
Granucci, G.2
Lami, A.3
Persico, M.4
Villani, G.5
-
87
-
-
1542336666
-
Electron transfer between quinones in photosynthetic reaction centers
-
Di Donato M, Peluso A, Villani G. Electron transfer between quinones in photosynthetic reaction centers. J Phys Chem B 2004, 108:3068-3077.
-
(2004)
J Phys Chem B
, vol.108
, pp. 3068-3077
-
-
Di Donato, M.1
Peluso, A.2
Villani, G.3
-
88
-
-
0034410080
-
The occurrence of electron transfer in aromatic nitration: dynamical aspects
-
Albunia RA, Borrelli R, Peluso A. The occurrence of electron transfer in aromatic nitration: dynamical aspects. Theor Chem Acc 2000, 104:218-222.
-
(2000)
Theor Chem Acc
, vol.104
, pp. 218-222
-
-
Albunia, R.A.1
Borrelli, R.2
Peluso, A.3
-
89
-
-
1042298180
-
A density-matrix model of photosynthetic electron transfer with microscopically estimated vibrational relaxation times
-
Parson WW, Warshel A. A density-matrix model of photosynthetic electron transfer with microscopically estimated vibrational relaxation times. Chem Phys 2004, 296:201-216.
-
(2004)
Chem Phys
, vol.296
, pp. 201-216
-
-
Parson, W.W.1
Warshel, A.2
-
90
-
-
3442887075
-
Dependence of photosynthetic electron-transfer kinetics on temperature and energy in a density-matrix model
-
Parson WW, Warshel A. Dependence of photosynthetic electron-transfer kinetics on temperature and energy in a density-matrix model. J Phys Chem B 2004, 108:10474-10483.
-
(2004)
J Phys Chem B
, vol.108
, pp. 10474-10483
-
-
Parson, W.W.1
Warshel, A.2
-
94
-
-
0032578541
-
- in bacterial reaction centers of Rhodobacter sphaeroides determined by a driving force assay
-
- in bacterial reaction centers of Rhodobacter sphaeroides determined by a driving force assay. Proc Natl Acad Sci USA 1998, 95:11679-11684.
-
(1998)
Proc Natl Acad Sci USA
, vol.95
, pp. 11679-11684
-
-
Graige, M.S.1
Feher, G.2
Okamura, M.Y.3
-
95
-
-
0347098351
-
Hydrogen bridges and electron transfer in biomolecules. Study of a possible mechanism on a model charge-recombination system
-
Del Re G, Peluso A, Minichino M. Hydrogen bridges and electron transfer in biomolecules. Study of a possible mechanism on a model charge-recombination system. Can J Chem 1985, 63:1850-1856.
-
(1985)
Can J Chem
, vol.63
, pp. 1850-1856
-
-
Del Re, G.1
Peluso, A.2
Minichino, M.3
-
96
-
-
0001463765
-
A model for proton-assisted electron transfer
-
Del Re G, Brahimi M, Peluso A. A model for proton-assisted electron transfer. Chem Phys Lett 1999, 299:511-517.
-
(1999)
Chem Phys Lett
, vol.299
, pp. 511-517
-
-
Del Re, G.1
Brahimi, M.2
Peluso, A.3
-
98
-
-
0000258463
-
Proton assisted electron transfer
-
Di Donato M, Borrelli R, Capobianco A. Improta R, Monaco G, Brahimi M, Peluso A. Proton assisted electron transfer. Adv Quantum Chem 1999, 36:301-322.
-
(1999)
Adv Quantum Chem
, vol.36
, pp. 301-322
-
-
Di Donato, M.1
Borrelli, R.2
Capobianco, A.3
Improta, R.4
Monaco, G.5
Brahimi, M.6
Peluso, A.7
-
99
-
-
0034702641
-
An alternative way of thinking about electron transfer in proteins: proton assisted electron transfer between the primary and secondary quinones in photosynthetic reaction centers
-
Peluso A Di Donato M, Saracino GAA. An alternative way of thinking about electron transfer in proteins: proton assisted electron transfer between the primary and secondary quinones in photosynthetic reaction centers. J Chem Phys 2000, 113:3212-3218.
-
(2000)
J Chem Phys
, vol.113
, pp. 3212-3218
-
-
Peluso, A.1
Di Donato, M.2
Saracino, G.A.A.3
-
100
-
-
0037470019
-
The role of the iron-histidine bridge in the early steps of photosynthesis
-
Di Donato M, Correa A, Peluso A. The role of the iron-histidine bridge in the early steps of photosynthesis. Chem Phys Lett 2003, 369:549-555.
-
(2003)
Chem Phys Lett
, vol.369
, pp. 549-555
-
-
Di Donato, M.1
Correa, A.2
Peluso, A.3
-
101
-
-
69249150055
-
Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting
-
Sobolewski AL, Domcke W. Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting. Chem Phys Lett 2009, 409:144-148.
-
(2009)
Chem Phys Lett
, vol.409
, pp. 144-148
-
-
Sobolewski, A.L.1
Domcke, W.2
-
102
-
-
50549083042
-
Computational model of photocatalytic water pplitting
-
Sobolewski AL, Domcke W. Computational model of photocatalytic water pplitting. J Phys Chem A 2008, 112:7311-7313.
-
(2008)
J Phys Chem A
, vol.112
, pp. 7311-7313
-
-
Sobolewski, A.L.1
Domcke, W.2
-
103
-
-
0001596110
-
Role of the chlorophyll dimer in bacterial photosynthesis
-
Warshel A. Role of the chlorophyll dimer in bacterial photosynthesis. Proc Natl Ac Sci 1980, 77:3105-3109.
-
(1980)
Proc Natl Ac Sci
, vol.77
, pp. 3105-3109
-
-
Warshel, A.1
-
104
-
-
34548421563
-
- electron photodetachment spectrum
-
- electron photodetachment spectrum. Chem Phys Lett 2007, 445:84-88.
-
(2007)
Chem Phys Lett
, vol.445
, pp. 84-88
-
-
Borrelli, R.1
-
105
-
-
0019878636
-
Enthalpy and volume changes accompanying electron transfer from P-870 to quinones in Rhodopseudomonas sphaeroides reaction centers
-
Arata H, Parson WW. Enthalpy and volume changes accompanying electron transfer from P-870 to quinones in Rhodopseudomonas sphaeroides reaction centers. Biochim Biophys Acta 1981, 636:70-81.
-
(1981)
Biochim Biophys Acta
, vol.636
, pp. 70-81
-
-
Arata, H.1
Parson, W.W.2
-
106
-
-
0019769585
-
Delayed fluorescence from Rhodopseudomonas sphaeroides reaction centers. Enthalpy and free energy changes accompanying electron transfer from P-870 to quinones
-
Arata H, Parson WW. Delayed fluorescence from Rhodopseudomonas sphaeroides reaction centers. Enthalpy and free energy changes accompanying electron transfer from P-870 to quinones. Biochim Biophys Acta, Bioener 1981, 638:201-209.
-
(1981)
Biochim Biophys Acta, Bioener
, vol.638
, pp. 201-209
-
-
Arata, H.1
Parson, W.W.2
-
107
-
-
0002053823
-
The multi-configurational time-dependent Hartree approach
-
Meyer HD, Manthe U, Cederbaum LS. The multi-configurational time-dependent Hartree approach. Chem Phys Lett 1990, 165:73-78.
-
(1990)
Chem Phys Lett
, vol.165
, pp. 73-78
-
-
Meyer, H.D.1
Manthe, U.2
Cederbaum, L.S.3
-
108
-
-
0042767657
-
Multilayer formulation of the multiconfiguration time-dependent Hartree theory
-
Wang H, Thoss M. Multilayer formulation of the multiconfiguration time-dependent Hartree theory. J Chem Phys 2003, 119:1289-1299.
-
(2003)
J Chem Phys
, vol.119
, pp. 1289-1299
-
-
Wang, H.1
Thoss, M.2
-
109
-
-
0038004540
-
Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method
-
Meyer HD, Worth GA. Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method. Theor Chem Acc 2003, 109:251-267.
-
(2003)
Theor Chem Acc
, vol.109
, pp. 251-267
-
-
Meyer, H.D.1
Worth, G.A.2
-
110
-
-
42949155172
-
A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
-
Manthe U. A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces. J Chem Phys 2008, 128:164116-14.
-
(2008)
J Chem Phys
, vol.128
, pp. 164116-164114
-
-
Manthe, U.1
-
111
-
-
0033636381
-
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
-
Beck MH, Jackle A, Worth GA, Meyer HD. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets. Phys Rep 2000, 324:1-105.
-
(2000)
Phys Rep
, vol.324
, pp. 1-105
-
-
Beck, M.H.1
Jackle, A.2
Worth, G.A.3
Meyer, H.D.4
-
112
-
-
84891027102
-
-
Meyer HD, Gatti F, Worth GA, eds. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA
-
Meyer HD, Gatti F, Worth GA, eds. Multidimensional Quantum Dynamics: MCTDH Theory and Applications. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA; 2009.
-
(2009)
Multidimensional Quantum Dynamics: MCTDH Theory and Applications
-
-
-
113
-
-
67650740013
-
Numerically exact quantum dynamics for indistinguishable particles: the multilayer multiconfiguration time-dependent Hartree theory in second quantization representation
-
Wang H, Thoss M. Numerically exact quantum dynamics for indistinguishable particles: the multilayer multiconfiguration time-dependent Hartree theory in second quantization representation. J Chem Phys 2009, 131:024114-14.
-
(2009)
J Chem Phys
, vol.131
, pp. 024114-024114
-
-
Wang, H.1
Thoss, M.2
-
114
-
-
0346984166
-
Theoretical study of vibrational wave-packet dynamics in electron-transfer systems
-
Thoss M, Domcke W, Wang H. Theoretical study of vibrational wave-packet dynamics in electron-transfer systems. Chem Phys 2004, 296:217-229.
-
(2004)
Chem Phys
, vol.296
, pp. 217-229
-
-
Thoss, M.1
Domcke, W.2
Wang, H.3
-
115
-
-
4143081774
-
Semiclassical simulation of absorption spectra for a chromophore coupled to an anharmonic bath
-
Wang H, Thoss M. Semiclassical simulation of absorption spectra for a chromophore coupled to an anharmonic bath. Chem Phys 2004, 304:121-131.
-
(2004)
Chem Phys
, vol.304
, pp. 121-131
-
-
Wang, H.1
Thoss, M.2
-
116
-
-
4143071726
-
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces
-
Thoss M, Kondov I, Wang H. Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces. Chem Phys 2004, 304:169-181.
-
(2004)
Chem Phys
, vol.304
, pp. 169-181
-
-
Thoss, M.1
Kondov, I.2
Wang, H.3
-
117
-
-
77957319094
-
First-principles study of photoinduced electron-transfer dynamics in a Mg-porphyrin-quinone complex
-
Borrelli R, Domcke W. First-principles study of photoinduced electron-transfer dynamics in a Mg-porphyrin-quinone complex. Chem Phys Lett 2010, 498:230-234.
-
(2010)
Chem Phys Lett
, vol.498
, pp. 230-234
-
-
Borrelli, R.1
Domcke, W.2
-
118
-
-
84861905058
-
Quantum dynamics of electron-transfer reactions: photoinduced intermolecular electron transfer in a porphyrin-quinone complex
-
Borrelli R, Thoss M, Wang H, Domcke W. Quantum dynamics of electron-transfer reactions: photoinduced intermolecular electron transfer in a porphyrin-quinone complex. Mol Phys 2012, 110:751-763.
-
(2012)
Mol Phys
, vol.110
, pp. 751-763
-
-
Borrelli, R.1
Thoss, M.2
Wang, H.3
Domcke, W.4
|