-
1
-
-
1642453927
-
Photoreceptor proteins, "star actors of modern times": A review of the functional dynamics in the structure of representative members of six different photoreceptor families
-
van der Horst MA, Hellingwerf KJ. 2004. Photoreceptor proteins, "star actors of modern times": a review of the functional dynamics in the structure of representative members of six different photoreceptor families. Acc. Chem. Res. 37:13-20
-
(2004)
Acc. Chem. Res
, vol.37
, pp. 13-20
-
-
van der Horst, M.A.1
Hellingwerf, K.J.2
-
2
-
-
0042706825
-
Cis-trans isomerization of organic molecules and biomolecules: Implications and applications
-
Dugave C, Demange L. 2003. Cis-trans isomerization of organic molecules and biomolecules: implications and applications. Chem. Rev. 103:2475-532
-
(2003)
Chem. Rev
, vol.103
, pp. 2475-2532
-
-
Dugave, C.1
Demange, L.2
-
3
-
-
0000606175
-
Biomolecular electronics: Protein-based associative processors and volumetric memories
-
Birge RR, Gillespie NB, Izaguirre EW, Kusnetzow A, Lawrence AF, et al. 1999. Biomolecular electronics: protein-based associative processors and volumetric memories. J. Phys. Chem. B 103:10746-66
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 10746-10766
-
-
Birge, R.R.1
Gillespie, N.B.2
Izaguirre, E.W.3
Kusnetzow, A.4
Lawrence, A.F.5
-
4
-
-
0001294195
-
Conical intersections: Diabolical and often misunderstood
-
Yarkony DR. 1998. Conical intersections: diabolical and often misunderstood. Acc. Chem. Res. 31:511-18
-
(1998)
Acc. Chem. Res
, vol.31
, pp. 511-518
-
-
Yarkony, DR.1
-
6
-
-
0011602243
-
Conical intersections as a mechanistic feature of organic photochemistry
-
Robb MA, Bernardi F, Olivucci M. 1995. Conical intersections as a mechanistic feature of organic photochemistry. Pure Appl. Chem. 67:783-89
-
(1995)
Pure Appl. Chem
, vol.67
, pp. 783-789
-
-
Robb, M.A.1
Bernardi, F.2
Olivucci, M.3
-
7
-
-
20844446886
-
Intramolecular radiationless transitions
-
Bixon M, Jortner J. 1968. Intramolecular radiationless transitions. J. Chem. Phys. 48:715-26
-
(1968)
J. Chem. Phys
, vol.48
, pp. 715-726
-
-
Bixon, M.1
Jortner, J.2
-
8
-
-
0002655081
-
Radiationless transitions in molecules
-
Freed KF. 1978. Radiationless transitions in molecules. Acc. Chem. Res. 11:74
-
(1978)
Acc. Chem. Res
, vol.11
, pp. 74
-
-
Freed, K.F.1
-
9
-
-
36849105325
-
Internal rotation and the breakdown of the adiabatic approximation: Many-phonon radiationless transitions
-
Gelbart WM, Freed KF, Rice SA. 1970. Internal rotation and the breakdown of the adiabatic approximation: many-phonon radiationless transitions. J. Chem. Phys. 52:2460-73
-
(1970)
J. Chem. Phys
, vol.52
, pp. 2460-2473
-
-
Gelbart, W.M.1
Freed, K.F.2
Rice, S.A.3
-
10
-
-
0030495574
-
Diabolical conical intersections
-
Yarkony DR. 1996. Diabolical conical intersections. Rev. Mod. Phys. 68:985-1013
-
(1996)
Rev. Mod. Phys
, vol.68
, pp. 985-1013
-
-
Yarkony, DR.1
-
13
-
-
0001628475
-
A new view of the dynamics of singlet cis-trans photoisomerization
-
Weiss RM, Warshel A. 1979. A new view of the dynamics of singlet cis-trans photoisomerization. J. Am. Chem. Soc. 101:6131-33
-
(1979)
J. Am. Chem. Soc
, vol.101
, pp. 6131-6133
-
-
Weiss, R.M.1
Warshel, A.2
-
14
-
-
0017251977
-
Bicycle-pedal model for the first step in the vision process
-
Warshel A. 1976. Bicycle-pedal model for the first step in the vision process. Nature 260:679-83
-
(1976)
Nature
, vol.260
, pp. 679-683
-
-
Warshel, A.1
-
15
-
-
0000127455
-
Molecular dynamics of the primary photochemical event in rhodopsin
-
Tallent JR, Hyde EW, Findsen LA, Fox GC, Birge RR. 1992. Molecular dynamics of the primary photochemical event in rhodopsin J. Am. Chem. Soc. 114:1581-92
-
(1992)
J. Am. Chem. Soc
, vol.114
, pp. 1581-1592
-
-
Tallent, J.R.1
Hyde, E.W.2
Findsen, L.A.3
Fox, G.C.4
Birge, R.R.5
-
16
-
-
0024279842
-
Direct observation of the femtosecond excited-state cis-trans isomerization in bacteriorhodopsin
-
Mathies RA, Cruz CHB, Pollard WT, Shank CV. 1988. Direct observation of the femtosecond excited-state cis-trans isomerization in bacteriorhodopsin. Science 240:777-79
-
(1988)
Science
, vol.240
, pp. 777-779
-
-
Mathies, R.A.1
Cruz, C.H.B.2
Pollard, W.T.3
Shank, C.V.4
-
18
-
-
0028519152
-
Vibrationally coherent photochemistry in the femtosecond primary event of vision
-
Wang Q, Schoenlein RW, Peteanu LA, Mathies RA, Shank CV. 1994. Vibrationally coherent photochemistry in the femtosecond primary event of vision. Science 266:422-24
-
(1994)
Science
, vol.266
, pp. 422-424
-
-
Wang, Q.1
Schoenlein, R.W.2
Peteanu, L.A.3
Mathies, R.A.4
Shank, C.V.5
-
19
-
-
36749118045
-
Subpicosecond time resolved multiphoton ionization: Excited state dynamics of cis-stilbene under collision free conditions
-
Greene BI, Farrow RC. 1983. Subpicosecond time resolved multiphoton ionization: excited state dynamics of cis-stilbene under collision free conditions, J. Chem. Phys. 78:3336-38
-
(1983)
J. Chem. Phys
, vol.78
, pp. 3336-3338
-
-
Greene, B.I.1
Farrow, R.C.2
-
20
-
-
0000925575
-
Femtosecond vibrational transitionstate dynamics in a chemical reaction
-
Pederson S, Bañares L, Zewail AH. 1992. Femtosecond vibrational transitionstate dynamics in a chemical reaction. J. Chem. Phys. 97:8801-4
-
(1992)
J. Chem. Phys
, vol.97
, pp. 8801-8804
-
-
Pederson, S.1
Bañares, L.2
Zewail, A.H.3
-
21
-
-
0000028010
-
Flourescence upconversion study of cis-stilbene isomerization
-
Todd DC, Jean JM, Rosenthal SJ, Ruggiero AJ, Yang D, Fleming GR. 1990. Flourescence upconversion study of cis-stilbene isomerization. J. Chem. Phys. 93:8658-68
-
(1990)
J. Chem. Phys
, vol.93
, pp. 8658-8668
-
-
Todd, D.C.1
Jean, J.M.2
Rosenthal, S.J.3
Ruggiero, A.J.4
Yang, D.5
Fleming, G.R.6
-
22
-
-
34047270526
-
Femtosecond laser studies of the cis-stilbene photoisomerization reactions
-
Sension RJ, Repinec ST, Szarka AZ, Hochstrasser RM. 1993. Femtosecond laser studies of the cis-stilbene photoisomerization reactions. J. Chem, Phys. 98:6291-315
-
(1993)
J. Chem, Phys
, vol.98
, pp. 6291-6315
-
-
Sension, R.J.1
Repinec, S.T.2
Szarka, A.Z.3
Hochstrasser, R.M.4
-
23
-
-
0000326957
-
Electronic relaxation and ground-state dynamics of 1,3-cyclohexadiene and cis-hexatriene in ethanol
-
Lochbrunner S, FUSS W, Schmid WE, Kompa KL. 1998. Electronic relaxation and ground-state dynamics of 1,3-cyclohexadiene and cis-hexatriene in ethanol. J. Phys. Chem. A 102:9334-44
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 9334-9344
-
-
Lochbrunner, S.1
FUSS, W.2
Schmid, W.E.3
Kompa, K.L.4
-
24
-
-
0001438105
-
The internal conversions of trans- and cis-1,3,5-hexatriene in cyclohexane solution studied with sub 50-fs UV pulses
-
Anderson NA, Durfee CG III, Murnane MM, Kapteyn HC, Sension RJ. 2000. The internal conversions of trans- and cis-1,3,5-hexatriene in cyclohexane solution studied with sub 50-fs UV pulses. Chem. Phys. Lett. 323:365-71
-
(2000)
Chem. Phys. Lett
, vol.323
, pp. 365-371
-
-
Anderson, N.A.1
Durfee III, C.G.2
Murnane, M.M.3
Kapteyn, H.C.4
Sension, R.J.5
-
25
-
-
33947564300
-
The crossing of potential energy surfaces
-
Teller E. 1937. The crossing of potential energy surfaces. J. Phys. Chem. 41:109-16
-
(1937)
J. Phys. Chem
, vol.41
, pp. 109-116
-
-
Teller, E.1
-
27
-
-
0000863651
-
Prediction of structural and environmental effects on the S1 -S0 energy gap and jump probability in double-bond cis-trans photoisomerization: A general rule
-
Bonačič-Koutecky̌ V, Kohler J, Michl J. 1984. Prediction of structural and environmental effects on the S1 -S0 energy gap and jump probability in double-bond cis-trans photoisomerization: a general rule. Chem. Phys. Lett. 104:440-42
-
(1984)
Chem. Phys. Lett
, vol.104
, pp. 440-442
-
-
Bonačič-Koutecky̌, V.1
Kohler, J.2
Michl, J.3
-
28
-
-
0001895032
-
Nonadiabatic interactions between potential energy surfaces: Theory and applications
-
Lengsfield BH III, Yarkony DR. 1992. Nonadiabatic interactions between potential energy surfaces: theory and applications. Adv. Chem. Pbys. 82:1-71
-
(1992)
Adv. Chem. Pbys
, vol.82
, pp. 1-71
-
-
Lengsfield III, B.H.1
Yarkony, D.R.2
-
29
-
-
43949151212
-
A direct method for the location of the lowest energy point on a potential surface crossing
-
Bearpark MJ, Robb MA, Schlegel HB. 1994. A direct method for the location of the lowest energy point on a potential surface crossing. Chem. Phys. Lett. 223:269-74
-
(1994)
Chem. Phys. Lett
, vol.223
, pp. 269-274
-
-
Bearpark, M.J.1
Robb, M.A.2
Schlegel, H.B.3
-
30
-
-
2442594017
-
On the intersection of two potential energy surfaces of the same symmetry: Systematic characterization using a Lagrange multiplier constrained procedure
-
Manaa MR, Yarkony DR. 1993. On the intersection of two potential energy surfaces of the same symmetry: systematic characterization using a Lagrange multiplier constrained procedure. J. Chem. Phys. 99:5251-56
-
(1993)
J. Chem. Phys
, vol.99
, pp. 5251-5256
-
-
Manaa, M.R.1
Yarkony, D.R.2
-
31
-
-
0141457686
-
Mechanism of a photochemical funnel: A dissipative wave-packet dynamics study
-
Balzer B, Hahn S, Stock G. 2003. Mechanism of a photochemical funnel: a dissipative wave-packet dynamics study. Chem. Phys. Lett. 379:351-58
-
(2003)
Chem. Phys. Lett
, vol.379
, pp. 351-358
-
-
Balzer, B.1
Hahn, S.2
Stock, G.3
-
32
-
-
26444580201
-
Dissipative dynamics of a system passing through a conical intersection: Ultrafast pump-probe observables
-
Gelman D, Katz G, Kosloff R, Ratner MA. 2005. Dissipative dynamics of a system passing through a conical intersection: ultrafast pump-probe observables. J. Chem. Phys. 123:134112
-
(2005)
J. Chem. Phys
, vol.123
, pp. 134112
-
-
Gelman, D.1
Katz, G.2
Kosloff, R.3
Ratner, M.A.4
-
33
-
-
23844507463
-
Theoretical study of geometric phase effects in the hydrogen-exchange reaction
-
Juanes-Marcos JC, Althorpe SC, Wrede E. 2005. Theoretical study of geometric phase effects in the hydrogen-exchange reaction. Science 309:1227-30
-
(2005)
Science
, vol.309
, pp. 1227-1230
-
-
Juanes-Marcos, J.C.1
Althorpe, S.C.2
Wrede, E.3
-
35
-
-
10644246953
-
Semiempirical molecular dynamics investigation of the excited state lifetime of ethylene
-
Barbatti M, Granucci G, Persico M, Lischka H. 2004. Semiempirical molecular dynamics investigation of the excited state lifetime of ethylene. Chem. Phys. Lett. 401:276-81
-
(2004)
Chem. Phys. Lett
, vol.401
, pp. 276-281
-
-
Barbatti, M.1
Granucci, G.2
Persico, M.3
Lischka, H.4
-
37
-
-
0001309352
-
Molecular dynamics of pyrazine after excitation to the 82 electronic state using a realistic 24-mode model Hamiltonian
-
Raab A, Worth GA, Meyer HD, Cederbaum LS. 1999. Molecular dynamics of pyrazine after excitation to the 82 electronic state using a realistic 24-mode model Hamiltonian. J. Chem. Phys. 110:936-46
-
(1999)
J. Chem. Phys
, vol.110
, pp. 936-946
-
-
Raab, A.1
Worth, G.A.2
Meyer, H.D.3
Cederbaum, L.S.4
-
39
-
-
12044255167
-
Time-dependent theoretical treatments of the dynamics of electrons and nuclei in molecular systems
-
Deumens E, Diz A, Longo R, Ohrn Y. 1994. Time-dependent theoretical treatments of the dynamics of electrons and nuclei in molecular systems. Rev. Mod. Phys. 66:917-83
-
(1994)
Rev. Mod. Phys
, vol.66
, pp. 917-983
-
-
Deumens, E.1
Diz, A.2
Longo, R.3
Ohrn, Y.4
-
40
-
-
13044304431
-
Molecular dynamics with electronic transitions
-
Tully JC. 1990. Molecular dynamics with electronic transitions. J. Chem. Phys. 93: 1061-71
-
(1990)
J. Chem. Phys
, vol.93
, pp. 1061-1071
-
-
Tully, J.C.1
-
41
-
-
33750350357
-
Detailed balance in Ehrenfest mixed quantum-classical dynamics
-
Parandekar PV, Tully JC. 2006. Detailed balance in Ehrenfest mixed quantum-classical dynamics. J. Chem. Theor. Comp. 2:229-35
-
(2006)
J. Chem. Theor. Comp
, vol.2
, pp. 229-235
-
-
Parandekar, P.V.1
Tully, J.C.2
-
42
-
-
36749113388
-
Frozen Gaussians: A very simple semiclassical approximation
-
Heller EJ. 1981. Frozen Gaussians: a very simple semiclassical approximation. J. Chem. Phys. 75:2923-31
-
(1981)
J. Chem. Phys
, vol.75
, pp. 2923-2931
-
-
Heller, E.J.1
-
43
-
-
33947245222
-
Ab initio quantum molecular dynamics
-
Ben-Nun M, Martínez TJ. 2002. Ab initio quantum molecular dynamics. Adv. Chem. Phys. 121:439-512
-
(2002)
Adv. Chem. Phys
, vol.121
, pp. 439-512
-
-
Ben-Nun, M.1
Martínez, T.J.2
-
44
-
-
0033737606
-
Ab initio multiple spawning: Photochemistry from first principles molecular dynamics
-
Ben-Nun M, Quenneville J, Martínez TJ. 2000. Ab initio multiple spawning: photochemistry from first principles molecular dynamics. J. Phys. Chem. A 104:5161-75
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 5161-5175
-
-
Ben-Nun, M.1
Quenneville, J.2
Martínez, T.J.3
-
45
-
-
0346400157
-
Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem
-
Ben-Nun M, Martínez TJ. 1998. Nonadiabatic molecular dynamics: validation of the multiple spawning method for a multidimensional problem. J. Chem. Phys. 108:7244-57
-
(1998)
J. Chem. Phys
, vol.108
, pp. 7244-7257
-
-
Ben-Nun, M.1
Martínez, T.J.2
-
46
-
-
0042172998
-
Decoherent histories and nonadiabatic quantum molecular dynamics simulations
-
Bittner ER, Rossky PJ. 1997. Decoherent histories and nonadiabatic quantum molecular dynamics simulations. J. Chem. Phys. 107:8611-18
-
(1997)
J. Chem. Phys
, vol.107
, pp. 8611-8618
-
-
Bittner, E.R.1
Rossky, P.J.2
-
47
-
-
0038204390
-
Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: Electronic absorption spectrum of ethylene
-
Baeck KK, Martínez TJ. 2003. Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene. Chem. Phys. Lett. 375:299-308
-
(2003)
Chem. Phys. Lett
, vol.375
, pp. 299-308
-
-
Baeck, K.K.1
Martínez, T.J.2
-
48
-
-
0033540110
-
Electronic absorption and resonance Raman spectroscopy from ab initio quantum molecular dynamics
-
Ben-Nun M, Martínez TJ. 1999. Electronic absorption and resonance Raman spectroscopy from ab initio quantum molecular dynamics. J. Phys. Chem. A 103:10517-27
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 10517-10527
-
-
Ben-Nun, M.1
Martínez, T.J.2
-
49
-
-
85045557400
-
-
Roos BO. 1987. The complete active space self-consistent field method and its applications in electronic structure calculations. In Advances in Chemical Physics: Ab Initio Methods in Quantum Chemistry, Part II, ed. KP Lawley, pp. 399-446. New York: Wiley
-
Roos BO. 1987. The complete active space self-consistent field method and its applications in electronic structure calculations. In Advances in Chemical Physics: Ab Initio Methods in Quantum Chemistry, Part II, ed. KP Lawley, pp. 399-446. New York: Wiley
-
-
-
-
50
-
-
0032948388
-
Theoretical studies of electronically excited states of molecular systems using multiconfigurational perturbation theory
-
Roos BO. 1999. Theoretical studies of electronically excited states of molecular systems using multiconfigurational perturbation theory. Acc. Chem. Res. 32:137-44
-
(1999)
Acc. Chem. Res
, vol.32
, pp. 137-144
-
-
Roos, B.O.1
-
51
-
-
17644419586
-
Systematic control of photochemistry: The dynamics of photoisomerization of a model cyanine dye
-
Hunt PA, Robb MA. 2005. Systematic control of photochemistry: the dynamics of photoisomerization of a model cyanine dye. J. Am. Chem. Soc. 127:5720-26
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 5720-5726
-
-
Hunt, P.A.1
Robb, M.A.2
-
52
-
-
0001680760
-
Ab initio photoisomerization dynamics of a simple retinal chromophore model
-
Vreven T, Bernardi F, Garavelli M, Olivucci M, Robb MA, Schlegel HB. 1997. Ab initio photoisomerization dynamics of a simple retinal chromophore model. J. Am. Chem. Soc. 119:12687-88
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 12687-12688
-
-
Vreven, T.1
Bernardi, F.2
Garavelli, M.3
Olivucci, M.4
Robb, M.A.5
Schlegel, H.B.6
-
53
-
-
0037156912
-
Nonadiabatic Car-Parrinello molecular dynamics
-
Doltsinis NL, Marx D. 2002. Nonadiabatic Car-Parrinello molecular dynamics. Phys. Rev. Lett. 88:166402
-
(2002)
Phys. Rev. Lett
, vol.88
, pp. 166402
-
-
Doltsinis, N.L.1
Marx, D.2
-
54
-
-
0002466550
-
Ab initio molecular dynamics study of cis-trans photoisomerization in ethylene
-
Ben-Nun M, Martínez TJ. 1998. Ab initio molecular dynamics study of cis-trans photoisomerization in ethylene. Chem. Phys. Lett. 298:57-65
-
(1998)
Chem. Phys. Lett
, vol.298
, pp. 57-65
-
-
Ben-Nun, M.1
Martínez, T.J.2
-
56
-
-
36549092340
-
Vacuum ultraviolet resonance Raman studies of the excited electronic states of ethylene
-
Sension RJ, Hudson BS. 1989. Vacuum ultraviolet resonance Raman studies of the excited electronic states of ethylene. J. Chem. Phys. 90:1377-89
-
(1989)
J. Chem. Phys
, vol.90
, pp. 1377-1389
-
-
Sension, R.J.1
Hudson, B.S.2
-
59
-
-
0034666104
-
Photodynamics of ethylene: Ab initio studies of conical intersections
-
Ben-Nun M, Martínez TJ. 2000. Photodynamics of ethylene: ab initio studies of conical intersections. Chem. Phys. 259:237-48
-
(2000)
Chem. Phys
, vol.259
, pp. 237-248
-
-
Ben-Nun, M.1
Martínez, T.J.2
-
60
-
-
0001208976
-
-
Ohmine 1.1985. Mechanisms of nonadiabatic transitions in photoisomerization processes of conjugated molecules: role of hydrogen migrations. J. Chem. Phys. 83:2348-62
-
Ohmine 1.1985. Mechanisms of nonadiabatic transitions in photoisomerization processes of conjugated molecules: role of hydrogen migrations. J. Chem. Phys. 83:2348-62
-
-
-
-
61
-
-
0037130710
-
H/Vinyl" and "Alkyl/Vinyl" conical intersections leading to carbene formation from the excited states of cyclohexene and norbornene
-
Wilsey S, Houk KN. 2002. "H/Vinyl" and "Alkyl/Vinyl" conical intersections leading to carbene formation from the excited states of cyclohexene and norbornene. J. Am. Chem. Soc. 124:11182-90
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 11182-11190
-
-
Wilsey, S.1
Houk, K.N.2
-
62
-
-
10644260253
-
Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces
-
Barbatti M, Paier J, Lischka H. 2004. Photochemistry of ethylene: a multireference configuration interaction investigation of the excited-state energy surfaces. J. Chem. Phys. 121:11614-24
-
(2004)
J. Chem. Phys
, vol.121
, pp. 11614-11624
-
-
Barbatti, M.1
Paier, J.2
Lischka, H.3
-
63
-
-
18744404547
-
The photodynamics of ethylene: A surface-hopping study on structural aspects
-
Barbatti M, Ruckenbauer M, Lischka H. 2005. The photodynamics of ethylene: a surface-hopping study on structural aspects. J. Chem. Phys. 122:174307
-
(2005)
J. Chem. Phys
, vol.122
, pp. 174307
-
-
Barbatti, M.1
Ruckenbauer, M.2
Lischka, H.3
-
65
-
-
33845558924
-
Sudden polarization: Pyramidalization of twisted ethylene
-
Brooks BR, Schaefer HF III. 1979. Sudden polarization: pyramidalization of twisted ethylene. J. Am. Chem. Soc. 101:307-11
-
(1979)
J. Am. Chem. Soc
, vol.101
, pp. 307-311
-
-
Brooks, B.R.1
Schaefer III, H.F.2
-
66
-
-
0000424103
-
Potential energy and dipole moment surfaces for simultaneous torsion and pyramidalization of ethylene in its lowest-lying singlet excited states: A CI study of the sudden polarization effect
-
Buenker RJ, Bonačič-Koutecký V, Pogliani L. 1980. Potential energy and dipole moment surfaces for simultaneous torsion and pyramidalization of ethylene in its lowest-lying singlet excited states: a CI study of the sudden polarization effect. J. Chem. Phys. 73:1836-49
-
(1980)
J. Chem. Phys
, vol.73
, pp. 1836-1849
-
-
Buenker, R.J.1
Bonačič-Koutecký, V.2
Pogliani, L.3
-
67
-
-
33845561537
-
The sudden polarization effect and its possible role in vision
-
Salem L. 1979. The sudden polarization effect and its possible role in vision. Acc. Chem. Res. 12:87-92
-
(1979)
Acc. Chem. Res
, vol.12
, pp. 87-92
-
-
Salem, L.1
-
68
-
-
0011480156
-
Deprotonation of the Schiff base of rhodopsin is obligate in the activation of the G protein
-
Longstaff C, Calhoon RD, Rando RR. 1986. Deprotonation of the Schiff base of rhodopsin is obligate in the activation of the G protein. Proc. Natl. Acad. Sci. USA 83:4209-13
-
(1986)
Proc. Natl. Acad. Sci. USA
, vol.83
, pp. 4209-4213
-
-
Longstaff, C.1
Calhoon, R.D.2
Rando, R.R.3
-
69
-
-
0001118362
-
Perdeuteriostilbene: The role of phantom states in the cis-trans photoisomerization of stilbenes
-
Saltiel J. 1967. Perdeuteriostilbene: the role of phantom states in the cis-trans photoisomerization of stilbenes. J. Am. Chem. Soc. 89:1036-37
-
(1967)
J. Am. Chem. Soc
, vol.89
, pp. 1036-1037
-
-
Saltiel, J.1
-
70
-
-
0001261293
-
Model for the direct photo-isomerization of stilbene
-
Orlandi G, Siebrand W. 1975. Model for the direct photo-isomerization of stilbene. Chem. Phys. Lett. 30:352-54
-
(1975)
Chem. Phys. Lett
, vol.30
, pp. 352-354
-
-
Orlandi, G.1
Siebrand, W.2
-
71
-
-
0040232920
-
Photoisomerization dynamics of stilbenes
-
Waldeck DH. 1991. Photoisomerization dynamics of stilbenes. Chem. Rev. 91:415-36
-
(1991)
Chem. Rev
, vol.91
, pp. 415-436
-
-
Waldeck, D.H.1
-
72
-
-
0001123199
-
The viscosity dependence and reaction coordinate for isomerization of cis-stilbene
-
Abrash S, Repinec S, Hochstrasser RM. 1990. The viscosity dependence and reaction coordinate for isomerization of cis-stilbene. J. Chem. Phys. 93:1041-53
-
(1990)
J. Chem. Phys
, vol.93
, pp. 1041-1053
-
-
Abrash, S.1
Repinec, S.2
Hochstrasser, R.M.3
-
73
-
-
0000312710
-
Cw-stilbene photochemistry: Solvent dependence of the initial dynamics and quantum yields
-
Rodier JM, Myers AB. 1993. Cw-stilbene photochemistry: solvent dependence of the initial dynamics and quantum yields. J. Am. Chem. Soc. 115:10791-95
-
(1993)
J. Am. Chem. Soc
, vol.115
, pp. 10791-10795
-
-
Rodier, J.M.1
Myers, A.B.2
-
74
-
-
33646914091
-
Calculations of absorption and emission spectra: A study of cis-stilbene
-
Todd DC, Fleming GR, Jean JM. 1992. Calculations of absorption and emission spectra: a study of cis-stilbene. J. Ghent. Pbys. 97:8915-25
-
(1992)
J. Ghent. Pbys
, vol.97
, pp. 8915-8925
-
-
Todd, D.C.1
Fleming, G.R.2
Jean, J.M.3
-
75
-
-
36549090986
-
Excited-state torsional dynamics of cis-stilbene from resonce Raman intensities
-
Myers AB, Mathies RA. 1984. Excited-state torsional dynamics of cis-stilbene from resonce Raman intensities. J. Chem. Phys. 81:1552-58
-
(1984)
J. Chem. Phys
, vol.81
, pp. 1552-1558
-
-
Myers, A.B.1
Mathies, R.A.2
-
76
-
-
0001091425
-
Femtosecond laser studies of the cis-stilbene photoisomerization reactions: The cis-stilbene to dihydrophenanthrene reaction
-
Repinec ST, Sension RJ, Szarka AZ, Hochstrasser RM. 1991. Femtosecond laser studies of the cis-stilbene photoisomerization reactions: the cis-stilbene to dihydrophenanthrene reaction. J. Phys. Chem. 95:10380-85
-
(1991)
J. Phys. Chem
, vol.95
, pp. 10380-10385
-
-
Repinec, S.T.1
Sension, R.J.2
Szarka, A.Z.3
Hochstrasser, R.M.4
-
77
-
-
0001396434
-
Vibrational energy redistribution and relaxation in the photoisomerization of cis-stilbene
-
Sension RJ, Szarka AZ, Hochstrasser RM. 1992. Vibrational energy redistribution and relaxation in the photoisomerization of cis-stilbene. J. Chem. Phys. 97:5239-42
-
(1992)
J. Chem. Phys
, vol.97
, pp. 5239-5242
-
-
Sension, R.J.1
Szarka, A.Z.2
Hochstrasser, R.M.3
-
78
-
-
0000840413
-
Models for stilbene photoisomerization: Experimental and theoretical studies of the excited-state dynamics of 1,2-diphenylcycloalkenes
-
Frederick JH, Fujiwara Y, Penn JH, Yoshihara K, Petek H. 1991. Models for stilbene photoisomerization: experimental and theoretical studies of the excited-state dynamics of 1,2-diphenylcycloalkenes. J. Phys. Chem. 95:2845-58
-
(1991)
J. Phys. Chem
, vol.95
, pp. 2845-2858
-
-
Frederick, J.H.1
Fujiwara, Y.2
Penn, J.H.3
Yoshihara, K.4
Petek, H.5
-
80
-
-
0040736743
-
Quasiclassical molecular dynamics simulation of the photoisomerization of stilbene
-
Vachev VD, Frederick JH, Grishanin BA, Zadkov VN, Koroteev NI. 1995. Quasiclassical molecular dynamics simulation of the photoisomerization of stilbene. J. Phys. Chem. 99:5247-63
-
(1995)
J. Phys. Chem
, vol.99
, pp. 5247-5263
-
-
Vachev, V.D.1
Frederick, J.H.2
Grishanin, B.A.3
Zadkov, V.N.4
Koroteev, N.I.5
-
81
-
-
0037434722
-
Ab initio study of cis-trans photoisomerization in stilbene and ethylene
-
Quenneville J, Martinez TJ. 2003. Ab initio study of cis-trans photoisomerization in stilbene and ethylene. J. Phys. Chem. A 107:829-37
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 829-837
-
-
Quenneville, J.1
Martinez, T.J.2
-
82
-
-
85122774811
-
Photodynamics from first principles and direct dynamics
-
ed. A Kutateladze, pp, Boca Raton: CRC
-
Toniolo A, Levine B, Thompson AL, Quenneville J, Ben-Nun M, et al. 2004. Photodynamics from first principles and direct dynamics. In Computational Methods in Photochemistry, ed. A Kutateladze, pp. 167-234. Boca Raton: CRC
-
(2004)
Computational Methods in Photochemistry
, pp. 167-234
-
-
Toniolo, A.1
Levine, B.2
Thompson, A.L.3
Quenneville, J.4
Ben-Nun, M.5
-
85
-
-
0000615715
-
Excited-state reaction path-ways for s-cis buta-1,3-diene
-
Celani P, Bernardi F, Olivucci M, Robb MA. 1995. Excited-state reaction path-ways for s-cis buta-1,3-diene. J. Chem. Phys. 102:5733-42
-
(1995)
J. Chem. Phys
, vol.102
, pp. 5733-5742
-
-
Celani, P.1
Bernardi, F.2
Olivucci, M.3
Robb, M.A.4
-
86
-
-
0036982940
-
Structure of the conical intersections driving the cis-trans photoisomerization of conjugated molecules
-
Ruiz DS, Cembran A, Garavelli M, Olivucci M, Fuss W. 2002. Structure of the conical intersections driving the cis-trans photoisomerization of conjugated molecules. Photochem. Photobiol. 76:622-33
-
(2002)
Photochem. Photobiol
, vol.76
, pp. 622-633
-
-
Ruiz, D.S.1
Cembran, A.2
Garavelli, M.3
Olivucci, M.4
Fuss, W.5
-
88
-
-
2342638866
-
Origin, nature, and fate of the fluorescent state of the green fluorescent protein chromophore at the CASPT2//CASSCF resolution
-
Martin ME, Negri F, Olivucci M. 2004. Origin, nature, and fate of the fluorescent state of the green fluorescent protein chromophore at the CASPT2//CASSCF resolution. J. Am. Chem. Soc. 126:5452-64
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 5452-5464
-
-
Martin, M.E.1
Negri, F.2
Olivucci, M.3
-
89
-
-
34249930098
-
-
Levine B, Martínez TJ. 2004. First principles ab initio multiple spawning dynamics of electronically excited butadiene with wavefunction and density functional theory. In Quantum Dynamics and Conical Intersections, ed. GA Worth, SC Allthorpe, pp. 65-72. Daresbury, UK: CCP6
-
Levine B, Martínez TJ. 2004. First principles ab initio multiple spawning dynamics of electronically excited butadiene with wavefunction and density functional theory. In Quantum Dynamics and Conical Intersections, ed. GA Worth, SC Allthorpe, pp. 65-72. Daresbury, UK: CCP6
-
-
-
-
90
-
-
4143111603
-
Excited state direct dynamics of benzene with reparameterized multireference semiempirical configuration interaction methods
-
Toniolo A, Thompson AL, Martínez TJ. 2004. Excited state direct dynamics of benzene with reparameterized multireference semiempirical configuration interaction methods. Chem. Phys. 304:133-45
-
(2004)
Chem. Phys
, vol.304
, pp. 133-145
-
-
Toniolo, A.1
Thompson, A.L.2
Martínez, T.J.3
-
91
-
-
0037046714
-
Optimization of conical intersections with floating occupation semiempirical configuration interaction wave functions
-
Toniolo A, Ben-Nun M, Martínez TJ. 2002. Optimization of conical intersections with floating occupation semiempirical configuration interaction wave functions. J. Phys. Chem. A 106:4679-89
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 4679-4689
-
-
Toniolo, A.1
Ben-Nun, M.2
Martínez, T.J.3
-
92
-
-
0038390595
-
Conical intersections in solution: A QM/MM study using floating occupation semiempirical configuration interaction wave functions
-
Toniolo A, Granucci G, Martínez TJ. 2003. Conical intersections in solution: a QM/MM study using floating occupation semiempirical configuration interaction wave functions. J. Phys. Chem. A 107:3822-30
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 3822-3830
-
-
Toniolo, A.1
Granucci, G.2
Martínez, T.J.3
-
93
-
-
5644244488
-
Conical intersection dynamics in solution: The chromophore of green fluorescent protein
-
Toniolo A, Olsen S, Manohar L, Martínez TJ. 2004. Conical intersection dynamics in solution: the chromophore of green fluorescent protein. Faraday Discuss. 127:149-63
-
(2004)
Faraday Discuss
, vol.127
, pp. 149-163
-
-
Toniolo, A.1
Olsen, S.2
Manohar, L.3
Martínez, T.J.4
-
94
-
-
33645774356
-
Conical intersections and double excitations in time-dependent density functional theory
-
Levine BG, Ko C, Quenneville J, Martínez TJ. 2006. Conical intersections and double excitations in time-dependent density functional theory. Mol. Phys. 104:1053-60
-
(2006)
Mol. Phys
, vol.104
, pp. 1053-1060
-
-
Levine, B.G.1
Ko, C.2
Quenneville, J.3
Martínez, T.J.4
-
95
-
-
0034873443
-
Photoisomerization by hula-twist: A fundamental supramolecular photochemical reaction
-
Liu RSH. 2001. Photoisomerization by hula-twist: a fundamental supramolecular photochemical reaction. An. Chem. Res. 34:555-62
-
(2001)
An. Chem. Res
, vol.34
, pp. 555-562
-
-
Liu, R.S.H.1
-
96
-
-
0034647672
-
Characterization of a conical intersection between the ground and first excited state for a retinal analog
-
Molnar F, Ben-Nun M, Martínez TJ, Schulten K. 2000. Characterization of a conical intersection between the ground and first excited state for a retinal analog. J. Mol. Struct. 506:169-78
-
(2000)
J. Mol. Struct
, vol.506
, pp. 169-178
-
-
Molnar, F.1
Ben-Nun, M.2
Martínez, T.J.3
Schulten, K.4
-
97
-
-
0017100947
-
Theoretical studies of enzymic reactions
-
Warshel A, Levitt M. 1976. Theoretical studies of enzymic reactions. J. Mol. Biol. 103:227-49
-
(1976)
J. Mol. Biol
, vol.103
, pp. 227-249
-
-
Warshel, A.1
Levitt, M.2
-
98
-
-
84986513644
-
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
-
Field MJ, Bash PA, Karplus M. 1990. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations. J. Comput. Chem. 11:700-33
-
(1990)
J. Comput. Chem
, vol.11
, pp. 700-733
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
99
-
-
21244497608
-
-
Friesner RA, Guallar V. 2005. Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis Annu. Rev. Phys. Chem. 56:389-427
-
Friesner RA, Guallar V. 2005. Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis Annu. Rev. Phys. Chem. 56:389-427
-
-
-
-
100
-
-
23944508561
-
Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level
-
Sinicropi A, Andruniow T, Ferré N, Basosi R, Olivucci M. 2005. Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level. J. Am. Chem. Soc. 127:11534-35
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 11534-11535
-
-
Sinicropi, A.1
Andruniow, T.2
Ferré, N.3
Basosi, R.4
Olivucci, M.5
-
101
-
-
4944237953
-
Complete-active-space self-consistent-field/amber parameterization of the Lys296-retinal-Glu113 rhodopsin chromophore-counterion system
-
Ferré N, Cembran A, Garavelli M, Olivucci M. 2004. Complete-active-space self-consistent-field/amber parameterization of the Lys296-retinal-Glu113 rhodopsin chromophore-counterion system. Theor. Chem. Acc. 112:335-41
-
(2004)
Theor. Chem. Acc
, vol.112
, pp. 335-341
-
-
Ferré, N.1
Cembran, A.2
Garavelli, M.3
Olivucci, M.4
-
102
-
-
33644984990
-
Insight for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores
-
Martínez TJ. 2006. Insight for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores. Acc. Chem. Res. 39:119-25
-
(2006)
Acc. Chem. Res
, vol.39
, pp. 119-125
-
-
Martínez, T.J.1
-
103
-
-
10444237332
-
Counterion controlled photoisomerization of retinal chromophore models: A computational investigation
-
Cembran A, Bernardi F, Olivucci M, Garavelli M. 2004. Counterion controlled photoisomerization of retinal chromophore models: a computational investigation. J. Am. Chem. Soc. 126:16018-37
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 16018-16037
-
-
Cembran, A.1
Bernardi, F.2
Olivucci, M.3
Garavelli, M.4
-
104
-
-
18244373415
-
The retinal chromophore/chloride ion pair: Structure of the photoisomerization path and interplay of charge transfer and covalent states
-
Cembran A, Bernardi F, Olivucci M, Garavelli M. 2005. The retinal chromophore/chloride ion pair: structure of the photoisomerization path and interplay of charge transfer and covalent states. Proc. Natl. Acad. Sci. USA 102:6255-60
-
(2005)
Proc. Natl. Acad. Sci. USA
, vol.102
, pp. 6255-6260
-
-
Cembran, A.1
Bernardi, F.2
Olivucci, M.3
Garavelli, M.4
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