-
1
-
-
0036999722
-
Structure, dynamics, and energetics of the primary photochemistry of Photosystem II of oxygenic photosynthesis
-
DOI 10.1146/annurev.arplant.53.100301.135238
-
B.A. Diner, and F. Rappaport Structure, dynamics, and energetics of the primary photochemistry of photosystem II of oxygenic photosynthesis Annu. Rev. Plant Biol. 53 2002 551 580 (Pubitemid 36257507)
-
(2002)
Annual Review of Plant Biology
, vol.53
, pp. 551-580
-
-
Diner, B.A.1
Rappaport, F.2
-
3
-
-
30744445692
-
Towards complete cofactor arrangement in the 3.0 Á resolution structure of photosystem II
-
DOI 10.1038/nature04224, PII NATURE04224
-
B. Loll, J. Kern, W. Saenger, A. Zouni, and J. Biesiadka Towards complete cofactor arrangement in the 3.0 Å resolution structure of photosystem II Nature 438 2005 1040 1044 (Pubitemid 43093979)
-
(2005)
Nature
, vol.438
, Issue.7070
, pp. 1040-1044
-
-
Loll, B.1
Kern, J.2
Saenger, W.3
Zouni, A.4
Biesiadka, J.5
-
4
-
-
0001505435
-
Isolation of a photosystem II reaction center consisting of D-1 and D-2 polypeptides and cytochrome b-559
-
O. Nanba, and K. Satoh Isolation of a photosystem II reaction center consisting of D-1 and D-2 polypeptides and cytochrome b-559 Proc. Natl. Acad. Sci. U. S. A. 84 1987 109 112
-
(1987)
Proc. Natl. Acad. Sci. U. S. A.
, vol.84
, pp. 109-112
-
-
Nanba, O.1
Satoh, K.2
-
5
-
-
0043145962
-
Relevance of the photosynthetic reaction center from purple bacteria to the structure of photosystem II
-
H. Michel, and J. Deisenhofer Relevance of the photosynthetic reaction center from purple bacteria to the structure of photosystem II Biochemistry 27 1988 1 7
-
(1988)
Biochemistry
, vol.27
, pp. 1-7
-
-
Michel, H.1
Deisenhofer, J.2
-
7
-
-
0002799732
-
Photosystem II and the quinone-iron-containing reaction centers: Comparisons and evolutionary perspectives
-
H. Baltsheffsky, VCH New York
-
A.W. Rutherford, and W. Nitschke Photosystem II and the quinone-iron-containing reaction centers: comparisons and evolutionary perspectives H. Baltsheffsky, Origin and Evolution of Biological Energy Conversion 1996 VCH New York 143 175
-
(1996)
Origin and Evolution of Biological Energy Conversion
, pp. 143-175
-
-
Rutherford, A.W.1
Nitschke, W.2
-
8
-
-
0031590751
-
Spectral and photochemical properties of borohydride-treated D1-D2-cytochrome b-559 complex of photosystem II
-
DOI 10.1016/S0014-5793(97)01512-3, PII S0014579397015123
-
A.Y. Shkuropatov, R.A. Khatypov, T.S. Volshchukova, V.A. Shkuropatova, T.G. Owens, and V.A. Shuvalov Spectral and photochemical properties of borohydride-treated D1-D2-cytochrome b-559 complex of photosystem II FEBS Lett. 420 1997 171 174 (Pubitemid 28037235)
-
(1997)
FEBS Letters
, vol.420
, Issue.2-3
, pp. 171-174
-
-
Shkuropatov, A.Ya.1
Khatypov, R.A.2
Volshchukova, T.S.3
Shkuropatova, V.A.4
Owens, T.G.5
Shuvalov, V.A.6
-
9
-
-
0033011339
-
1-hydroxy-pheophytin a
-
DOI 10.1016/S0014-5793(99)00486-X, PII S001457939900486X
-
1-hydroxy-pheophytin a FEBS Lett. 450 1999 163 167 (Pubitemid 29206732)
-
(1999)
FEBS Letters
, vol.450
, Issue.1-2
, pp. 163-167
-
-
Shkuropatov, A.Y.1
Khatypov, R.A.2
Shkuropatova, V.A.3
Zvereva, M.G.4
Owens, T.G.5
Shuvalov, V.A.6
-
10
-
-
0022364841
-
Orientation of the chromophores in the reaction center of Rhodopseudomonas viridis. Comparison of low-temperature linear dichroism spectra with a model derived from X-ray crystallography
-
DOI 10.1016/0005-2728(85)90138-0
-
J. Breton Orientation of chromophores in the reaction center of Rhodopseudomonas viridis. Comparison of low-temperature linear dichroism spectra with a model derived from X-ray crystallography Biochim. Biophys. Acta 810 1985 235 245 (Pubitemid 16210017)
-
(1985)
Biochimica et Biophysica Acta - Bioenergetics
, vol.810
, Issue.2
, pp. 235-245
-
-
Breton, J.1
-
11
-
-
0011642532
-
Structured hole burned spectra of the primary donor state absorption region of Rhodopseudomonas viridis
-
D. Tang, R. Jankowiak, and G.J. Small Structured hole burned spectra of the primary donor state absorption region of Rhodopseudomonas viridis Chem. Phys. 131 1989 99 113
-
(1989)
Chem. Phys.
, vol.131
, pp. 99-113
-
-
Tang, D.1
Jankowiak, R.2
Small, G.J.3
-
12
-
-
0034497568
-
Primary processes and structure of the photosystem II reaction center: A photon echo study
-
V.I. Prokhorenko, and A.R. Holzwarth Primary processes and structure of the photosystem II reaction center: a photon echo study J. Phys. Chem. B 104 2000 11563 11578
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 11563-11578
-
-
Prokhorenko, V.I.1
Holzwarth, A.R.2
-
13
-
-
0035902455
-
Excited-state dynamics in photosystem II: Insights from the x-ray crystal structure
-
DOI 10.1073/pnas.141239598
-
S. Vasil'ev, P. Orth, A. Zouni, T.G. Owens, and D. Bruce Excited-state dynamics in photosystem II: insights from the X-ray crystal structure Proc. Natl. Acad. Sci. U. S. A. 98 2001 8602 8607 (Pubitemid 32678074)
-
(2001)
Proceedings of the National Academy of Sciences of the United States of America
, vol.98
, Issue.15
, pp. 8602-8607
-
-
Vasil'ev, S.1
Orth, P.2
Zouni, A.3
Owens, T.G.4
Bruce, D.5
-
14
-
-
0029002688
-
A multimer model for P680, the primary electron donor of photosystem II
-
J.R. Durrant, D.R. Klug, S.L.S. Kwa, and R.v. Grondelle A multimer model for P680, the primary electron donor of photosystem II Proc. Nat. Acad. Sci. U. S. A. 92 1995 4798 4802
-
(1995)
Proc. Nat. Acad. Sci. U. S. A.
, vol.92
, pp. 4798-4802
-
-
Durrant, J.R.1
Klug, D.R.2
Kwa, S.L.S.3
Grondelle, R.V.4
-
16
-
-
29444461306
-
Excitonic states in photosystem II reaction center
-
DOI 10.1021/jp0581734
-
N. Ivashin, and S. Larsson Excitonic states in photosystem II reaction center J. Phys. Chem. B 109 2005 23051 23060 (Pubitemid 43010733)
-
(2005)
Journal of Physical Chemistry B
, vol.109
, Issue.48
, pp. 23051-23060
-
-
Ivashin, N.1
Larsson, S.2
-
17
-
-
21244494763
-
Theory of optical spectra of photosystem II reaction centers: Location of the triplet state and the identity of the primary electron donor
-
DOI 10.1529/biophysj.104.050294
-
G. Raszewski, W. Saenger, and T. Renger Theory of optical spectra of photosystem II reaction centers: location of the triplet state and the identity of the primary electron donor Biophys. J. 88 2005 986 998 (Pubitemid 40983839)
-
(2005)
Biophysical Journal
, vol.88
, Issue.2
, pp. 986-998
-
-
Raszewski, G.1
Saenger, W.2
Renger, T.3
-
18
-
-
40549136513
-
Spectroscopic properties of reaction center pigments in photosystem II core complexes: Revision of the multimer model
-
G. Raszewski, B.A. Diner, E. Schlodder, and T. Renger Spectroscopic properties of reaction center pigments in photosystem II core complexes: revision of the multimer model Biophys. J. 95 2008 105 119
-
(2008)
Biophys. J.
, vol.95
, pp. 105-119
-
-
Raszewski, G.1
Diner, B.A.2
Schlodder, E.3
Renger, T.4
-
19
-
-
0035825682
-
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Á resolution
-
DOI 10.1038/35055589
-
A. Zouni, H.-T. Witt, J. Kern, P. Fromme, N. Krau, W. Saenger, and P. Orth Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution Nature 409 2001 739 743 (Pubitemid 32144521)
-
(2001)
Nature
, vol.409
, Issue.6821
, pp. 739-743
-
-
Zouni, A.1
Witt, H.-T.2
Kern, J.3
Fromme, P.4
Krauss, N.5
Saenger, W.6
Orth, P.7
-
20
-
-
33748567167
-
Sub-picosecond equilibration of excitation energy in isolated photosystem II reaction centers revisited: Time-dependent anisotropy
-
S.A.P. Merry, S. Kumazaki, Y. Tachibana, D.M. Joseph, G. Porter, K. Yoshihara, J. Barber, J.R. Durrant, and D.R. Klug Sub-picosecond equilibration of excitation energy in isolated photosystem II reaction centers revisited: time-dependent anisotropy J. Phys. Chem. 100 1996 10469 10478 (Pubitemid 126789377)
-
(1996)
Journal of Physical Chemistry
, vol.100
, Issue.24
, pp. 10469-10478
-
-
Merry, S.A.P.1
Kumazaki, S.2
Tachibana, Y.3
Joseph, D.M.4
Porter, G.5
Yoshihara, K.6
Barber, J.7
Durrant, J.R.8
Klug, D.R.9
-
21
-
-
33646154454
-
A protein dynamics study of Photosystem II; The effects of protein conformation on reaction center function
-
S. Vasil'ev, and D. Bruce A protein dynamics study of Photosystem II; the effects of protein conformation on reaction center function Biophys. J. 90 2006 3062 3073
-
(2006)
Biophys. J.
, vol.90
, pp. 3062-3073
-
-
Vasil'Ev, S.1
Bruce, D.2
-
22
-
-
34548557196
-
y, absorption spectrum of photosystem-i from thermosynechococcus elongatus based on CAM-B3LYP calculations at the PW91-optimized protein structure
-
DOI 10.1021/jp070030p
-
S. Yin, M.G. Dahlbom, P.J. Canfield, N.S. Hush, R. Kobayashi, and J.R. Reimers Assignment of the Qy absorption spectrum of photosystem-I from Thermosynechoccus elongatus based on CAM-B3LYP calculations at the PW91-optimized protein structure J. Phys. Chem. B 111 2007 9923 9930 (Pubitemid 47387876)
-
(2007)
Journal of Physical Chemistry B
, vol.111
, Issue.33
, pp. 9923-9930
-
-
Yin, S.1
Dahlbom, M.G.2
Canfield, P.J.3
Hush, N.S.4
Kobayashi, R.5
Reimers, J.R.6
-
23
-
-
70349156478
-
Deciphering the influence of short-range electronic coupling on optical properties of molecular dimers: Application to "special pairs" in photosynthesis
-
M.E. Madjet, H. Müh, and T. Renger Deciphering the influence of short-range electronic coupling on optical properties of molecular dimers: application to "special pairs" in photosynthesis J. Phys. Chem. B 113 2009 12603 12614
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 12603-12614
-
-
Madjet, M.E.1
Müh, H.2
Renger, T.3
-
24
-
-
33748768973
-
Intermolecular coulomb couplings from ab initio electrostatic potentials: Application to optical transitions of strongly coupled pigments in photosynthetic antennae and reaction centers
-
DOI 10.1021/jp0615398
-
M.E. Madjet, A. Abdurahman, and T. Renger Intermolecular Coulomb coupling from ab initio electrostatic potentials: application to optical transitions of strongly coupled pigments in photosynthetic antennae and reaction centers J. Phys. Chem. B 110 2006 17268 17281 (Pubitemid 44412355)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.34
, pp. 17268-17281
-
-
Madjet, M.E.1
Abdurahman, A.2
Renger, T.3
-
25
-
-
33845557459
-
Electron transfer in chemical and biological systems. Orbital rules for nonadiabatic transfer
-
S. Larsson Electron transfer in chemical and biological systems. Orbital rules for nonadiabatic transfer J. Am. Chem. Soc. 103 1981 4034 4040
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 4034-4040
-
-
Larsson, S.1
-
26
-
-
45749139149
-
Effect of charge distribution over a chlorophyll dimer on the redox potential of P680 in photosystem II as studied by density functional theory calculations
-
DOI 10.1021/bi8007998
-
R. Takahashi, K. Hasegawa, and T. Noguchi Effect of charge distribution over a chlorophyll dimer on the redox potential of P680 in Photosystem II as studied by density functional theory calculations Biochemistry 47 2008 6289 6291 (Pubitemid 351874219)
-
(2008)
Biochemistry
, vol.47
, Issue.24
, pp. 6289-6291
-
-
Takahashi, R.1
Hasegawa, K.2
Noguchi, T.3
-
27
-
-
0031572857
-
The coupling of light-induced electron transfer and proton uptake as derived from crystal structures of reaction centres from Rhodopseudomonas viridis modified at the binding site of the secondary quinone, Q(B)
-
C.R.D. Lancaster, and H. Michel The coupling of light-induced electron transfer and proton uptake as derived from crystal structures of reaction centres from Rhodopseudomonas viridis modified at the binding site of the secondary quinone, QB Structure 5 1997 1339 1359 (Pubitemid 27484476)
-
(1997)
Structure
, vol.5
, Issue.10
, pp. 1339-1359
-
-
Roy, C.1
Lancaster, D.2
Michel, H.3
-
28
-
-
33748341319
-
Density-functional geometry optimization of the 150000-atom photosystem-I trimer
-
P. Canfield, M.G. Dahlbom, N.S. Hush, and J.R. Reimers Density-functional geometry optimization of the 150000-atom photosystem-I trimer J. Chem. Phys. 124 2006 024301
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 024301
-
-
Canfield, P.1
Dahlbom, M.G.2
Hush, N.S.3
Reimers, J.R.4
-
29
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
C. Lee, W. Yang, and R.G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys. Rev. B 37 1988 785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
30
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
A.D. Becke Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 98 1993 5648 5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
31
-
-
62049085169
-
Cyanobacterial photosystem II at 2.9 Å resolution and the role of quinones, lipids, channels and chloride
-
A. Guskov, J. Kern, A. Gabdulkhakov, M. Broser, A. Zouni, and W. Saenger Cyanobacterial photosystem II at 2.9 Å resolution and the role of quinones, lipids, channels and chloride Nat. Struct. Mol. Biol. 16 2009 334 342
-
(2009)
Nat. Struct. Mol. Biol.
, vol.16
, pp. 334-342
-
-
Guskov, A.1
Kern, J.2
Gabdulkhakov, A.3
Broser, M.4
Zouni, A.5
Saenger, W.6
-
32
-
-
84988112508
-
An efficient Newton-like method for molecular mechanics energy minimization of large molecules
-
J.W. Ponder, and F.M. Richards An efficient Newton-like method for molecular mechanics energy minimization of large molecules J. Comput. Chem. 8 1987 1016 1026
-
(1987)
J. Comput. Chem.
, vol.8
, pp. 1016-1026
-
-
Ponder, J.W.1
Richards, F.M.2
-
33
-
-
0001398008
-
How well does a restrained electrostatic potential (resp) model perform in calculating conformational energies of organic and biological molecules
-
J. Wang, P. Cieplak, and P.A. Kollman How well does a restrained electrostatic potential (resp) model perform in calculating conformational energies of organic and biological molecules J. Comput. Chem. 21 2000 1049 1074
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 1049-1074
-
-
Wang, J.1
Cieplak, P.2
Kollman, P.A.3
-
34
-
-
84988129057
-
Optimization of parameters for semiempirical methods I. Method
-
J.J.P. Stewart Optimization of parameters for semiempirical methods I. Method J. Comput. Chem. 10 1989 209 220
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 209-220
-
-
Stewart, J.J.P.1
-
35
-
-
1242346134
-
-
Gaussian, Inc. Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R.J.A. Cheeseman, J. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J. Ochterski, P.Y. Ayala, K. Morokuma, G. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian03 2003 Gaussian, Inc. Pittsburgh, PA
-
(2003)
Gaussian03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.J.A.6
Montgomery, J.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
36
-
-
0347170005
-
Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules
-
W.J. Hehre, R. Ditchfield, and J.A. Pople Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules J. Chem. Phys. 56 1972 2257 2261
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257-2261
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
37
-
-
24244434365
-
Cluster expansion of the wavefunction. Excited States
-
H. Nakatsuji Cluster expansion of the wavefunction. Excited States Chem. Phys. Lett. 59 1978 362
-
(1978)
Chem. Phys. Lett.
, vol.59
, pp. 362
-
-
Nakatsuji, H.1
-
38
-
-
4243872973
-
Cluster expansion of the wavefunction. Calculation of electron correlations in Ground and excited states by SAC and SAC-CI theories
-
H. Nakatsuji Cluster expansion of the wavefunction. Calculation of electron correlations in Ground and excited states by SAC and SAC-CI theories Chem. Phys. Lett. 67 1979 334
-
(1979)
Chem. Phys. Lett.
, vol.67
, pp. 334
-
-
Nakatsuji, H.1
-
39
-
-
4243215242
-
Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC-CI theories
-
H. Nakatsuji Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC-CI theories Chem. Phys. Lett. 67 1979 329
-
(1979)
Chem. Phys. Lett.
, vol.67
, pp. 329
-
-
Nakatsuji, H.1
-
40
-
-
0002283055
-
SAC-CI method: Theoretical aspects and some recent topics
-
J. Leszczynski, World Scientific Singapore
-
H. Nakatsuji SAC-CI method: theoretical aspects and some recent topics J. Leszczynski, Computational Chemistry - Reviews of Current Trends 2 1997 World Scientific Singapore 62 124
-
(1997)
Computational Chemistry - Reviews of Current Trends
, vol.2
, pp. 62-124
-
-
Nakatsuji, H.1
-
41
-
-
0031997484
-
Theoretical study of the excited states of chlorin, bacteriochlorin, pheophytin a, and chlorophyll a by the SAC/SAC-CI method
-
J. Hasegawa, Y. Ozeki, K. Ohkawa, M. Hada, and H. Nakatsuji Theoretical study of the excited states of chlorin, bacteriochlorin, pheophytin a, and chlorophyll a by the SAC/SAC-CI method J. Phys. Chem. B 102 1998 1320 1326 (Pubitemid 128576883)
-
(1998)
Journal of Physical Chemistry B
, vol.102
, Issue.7
, pp. 1320-1326
-
-
Hasegawa, J.1
Ozeki, Y.2
Ohkawa, K.3
Hada, M.4
Nakatsuji, H.5
-
42
-
-
0042881198
-
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
-
A. Dreuw, J.L. Weisman, and M. Head-Gordon Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange J. Chem. Phys. 119 2003 2943 2946
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 2943-2946
-
-
Dreuw, A.1
Weisman, J.L.2
Head-Gordon, M.3
-
43
-
-
0000287603
-
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
-
M.E. Casida, C. Jamorski, K.C. Casida, and D.R. Salahub Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: characterization and correction of the time-dependent local density approximation ionization threshold J. Chem. Phys. 108 1998 4439 4449 (Pubitemid 128571251)
-
(1998)
Journal of Chemical Physics
, vol.108
, Issue.11
, pp. 4439-4449
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
44
-
-
0030570285
-
Calculation of excitation energies within time-dependent density functional theory using auxiliary basis set expansions
-
R. Bauernschmitt, and R. Ahlrichs Calculation of excitation energies within time-dependent density functional theory using auxiliary basis set expansions Chem. Phys. Lett. 256 1996 454 464
-
(1996)
Chem. Phys. Lett.
, vol.256
, pp. 454-464
-
-
Bauernschmitt, R.1
Ahlrichs, R.2
-
45
-
-
0032533083
-
An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
-
DOI 10.1063/1.477483, PII S0021960698306431
-
R.B. Stratmann, G.E. Scuseria, and M.J. Frisch An efficient implementation of time dependent density functional theory for the calculation of excitation energies of large molecules J. Chem. Phys. 109 1998 8218 8224 (Pubitemid 128672179)
-
(1998)
Journal of Chemical Physics
, vol.109
, Issue.19
, pp. 8218-8224
-
-
Stratmann, R.E.1
Scuseria, G.E.2
Frisch, M.J.3
-
47
-
-
0001518180
-
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
-
D.J. Tozer, R.D. Amos, N.C. Handy, B.O. Roos, and L. Serrano-Andres Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds? Mol. Phys. 97 1999 859 868 (Pubitemid 129707895)
-
(1999)
Molecular Physics
, vol.97
, Issue.7
, pp. 859-868
-
-
Tozer, D.J.1
Amos, R.D.2
Handy, N.C.3
Roos, B.O.4
Serrano-Andres, L.5
-
48
-
-
0346058181
-
Time dependent density functional theory study of charge-transfer and intramolecular electronic excitations in acetone-water systems
-
L. Bernasconi, and M. Sprik Time dependent density functional theory study of charge-transfer and intramolecular electronic excitations in acetone-water systems J. Chem. Phys. 119 2003 12417 12431
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12417-12431
-
-
Bernasconi, L.1
Sprik, M.2
-
49
-
-
33845282026
-
Spectroscopic properties of photosynthetic reaction centers. 2. Application of the theory to Rhodopseudomonas viridis
-
W.W. Parson, and A. Warshel Spectroscopic properties of photosynthetic reaction centers. 2. Application of the theory to Rhodopseudomonas viridis J. Am. Chem. Soc. 109 1987 6152 6163
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 6152-6163
-
-
Parson, W.W.1
Warshel, A.2
-
50
-
-
0013523670
-
A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis
-
M.A. Thompson, and M.C. Zerner A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis J. Am. Chem. Soc. 113 1991 8210 8215
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 8210-8215
-
-
Thompson, M.A.1
Zerner, M.C.2
-
51
-
-
0000646009
-
Excited states of the photosynthetic reaction center of Rhodopseudomonas viridis: SAC-CI study
-
J. Hasegawa, K. Ohkawa, and H. Nakatsuji Excited states of the photosynthetic reaction center of Rhodopseudomonas viridis: SAC-CI study J. Phys. Chem. B 102 1998 10410 10419 (Pubitemid 128621255)
-
(1998)
Journal of Physical Chemistry B
, vol.102
, Issue.50
, pp. 10410-10419
-
-
Hasegawa, J.1
Ohkawa, K.2
Nakatsuji, H.3
-
52
-
-
0004283576
-
-
World Scientific Singapore
-
T. Kobayashi J-Aggregates 1996 World Scientific Singapore
-
(1996)
J-Aggregates
-
-
Kobayashi, T.1
-
53
-
-
0031209054
-
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to Isotropic and anisotropic dielectrics
-
M.T. Cancès, B. Mennucci, and J. Tomasi A new integral equation formalism for the polarizable continuum model: theoretical background and applications to isotropic and anisotropic dielectrics J. Chem. Phys. 107 1997 3032 3041 (Pubitemid 127568923)
-
(1997)
Journal of Chemical Physics
, vol.107
, Issue.8
, pp. 3032-3041
-
-
Cances, E.1
Mennucci, B.2
Tomasi, J.3
-
54
-
-
0028000656
-
ENDOR and special triple resonance studies of chlorophyll cation radicals in photosystem 2
-
S.E.J. Rigby, J.H.A. Nugent, and P.J. O'Malley ENDOR and special triple resonance studies of chlorophyll cation radicals in photosystem 2 Biochemistry 33 1994 10043 10050 (Pubitemid 24286083)
-
(1994)
Biochemistry
, vol.33
, Issue.33
, pp. 10043-10050
-
-
Rigby, S.E.J.1
Nugent, J.H.A.2
O'Malley, P.J.3
-
55
-
-
34147162903
-
Perturbation of the structure of P680 and the charge distribution on its radical cation in isolated reaction center complexes of photosystem II as revealed by fourier transform infrared spectroscopy
-
DOI 10.1021/bi700157n
-
T. Okubo, T. Tomo, M. Sugiura, and T. Noguchi Perturbation of structure of P680 and the charge distribution on its radical cation in isolated reaction center complexes of photosystem ii as revealed by fourier transformation infrared spectroscopy Biochemistry 46 2007 4390 4397 (Pubitemid 46559404)
-
(2007)
Biochemistry
, vol.46
, Issue.14
, pp. 4390-4397
-
-
Okubo, T.1
Tomo, T.2
Sugiura, M.3
Noguchi, T.4
-
56
-
-
0035822664
-
Site-directed mutations at D1-His198 and D2-His197 of photosystem II in Synechocystis PCC 6803: Sites of primary charge separation and cation and triplet stabilization
-
DOI 10.1021/bi010121r
-
B.A. Diner, E. Schlodder, P.J. Nixon, W.J. Coleman, F. Rappaport, J. Lavergne, W.F.J. Vermaas, and D.A. Chisholm Site-directed mutants at D1-His198 and D2-His197 of photosystem II in synechocystis PCC 6803: sites of primary charge separation and cation and triplet stabilization Biochemistry 40 2001 9265 9281 (Pubitemid 32730048)
-
(2001)
Biochemistry
, vol.40
, Issue.31
, pp. 9265-9281
-
-
Diner, B.A.1
Schlodder, E.2
Nixon, P.J.3
Coleman, W.J.4
Rappaport, F.5
Lavergne, J.6
Vermaas, W.F.J.7
Chisholm, D.A.8
-
57
-
-
33745633568
-
How photosynthetic reaction centers control oxidation power in chlorophyll pairs P680, P700, and P870
-
DOI 10.1073/pnas.0601446103
-
H. Ishikita, W. Saenger, J. Biesiadka, B. Loll, and E.-W. Knapp How photosynthetic reaction centers control oxidation power in chlorophyll pairs P680, P700, and P870 Proc. Natl. Acad. Sci. U. S. A. 103 2006 9855 9860 (Pubitemid 43993587)
-
(2006)
Proceedings of the National Academy of Sciences of the United States of America
, vol.103
, Issue.26
, pp. 9855-9860
-
-
Ishikita, H.1
Saenger, W.2
Biesiadka, J.3
Loll, B.4
Knapp, E.-W.5
-
58
-
-
0000009443
-
Rapid comparison of protein structures
-
A.D. McLachlan Rapid comparison of protein structures Acta Crystallogr. A38 1982 871 873
-
(1982)
Acta Crystallogr.
, vol.38 A
, pp. 871-873
-
-
McLachlan, A.D.1
|