-
1
-
-
82955173084
-
The chemistry of bioluminescence: An analysis of chemical functionalities
-
Navizet, I., Y. J. Liu, N. Ferré, D. Roca-Sanjuán, and, R. Lindh, (2011) The chemistry of bioluminescence: An analysis of chemical functionalities. ChemPhysChem 12, 3064-3076.
-
(2011)
ChemPhysChem
, vol.12
, pp. 3064-3076
-
-
Navizet, I.1
Liu, Y.J.2
Ferré, N.3
Roca-Sanjuán, D.4
Lindh, R.5
-
2
-
-
79953720833
-
Molecular enigma of multicolor bioluminescence of firefly luciferase
-
Hosseinkhani, S., (2011) Molecular enigma of multicolor bioluminescence of firefly luciferase. Cell. Mol. Life Sci. 68, 1167-1182.
-
(2011)
Cell. Mol. Life Sci.
, vol.68
, pp. 1167-1182
-
-
Hosseinkhani, S.1
-
3
-
-
82955173099
-
Color tuning in photofunctional proteins
-
Hasegawa, J.-Y., K. J. Fujimoto, and, H. Nakatsuji, (2011) Color tuning in photofunctional proteins. ChemPhysChem 12, 3106-3115.
-
(2011)
ChemPhysChem
, vol.12
, pp. 3106-3115
-
-
Hasegawa, J.-Y.1
Fujimoto, K.J.2
Nakatsuji, H.3
-
4
-
-
79954521515
-
Computational studies of the luciferase light-emitting product: Oxyluciferin
-
Pinto da Silva, L., and, J. C. G. Esteves da Silva, (2011) Computational studies of the luciferase light-emitting product: Oxyluciferin. J. Chem. Theory Comput. 7, 809-817.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 809-817
-
-
Pinto Da Silva, L.1
Esteves Da Silva, J.C.G.2
-
5
-
-
84862184970
-
Firefly chemiluminescence and bioluminescence: Efficient generation of excited states
-
Pinto da Silva, L., and, J. C. G. Esteves da Silva, (2012) Firefly chemiluminescence and bioluminescence: Efficient generation of excited states. ChemPhysChem 13, 2257-2262.
-
(2012)
ChemPhysChem
, vol.13
, pp. 2257-2262
-
-
Pinto Da Silva, L.1
Esteves Da Silva, J.C.G.2
-
6
-
-
83455236993
-
Chemiluminescence and fluorescence states of a small model for coelenteramide and cypridina oxyluciferin: A CASSCF/CASPT2 study
-
Roca-Sanjuán, D., M. Delcey, I. Navizet, N. Ferré, Y. J. Liu, and, R. Lindh, (2011) Chemiluminescence and fluorescence states of a small model for coelenteramide and cypridina oxyluciferin: A CASSCF/CASPT2 study. J. Chem. Theory Comput. 7, 4060.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 4060
-
-
Roca-Sanjuán, D.1
Delcey, M.2
Navizet, I.3
Ferré, N.4
Liu, Y.J.5
Lindh, R.6
-
7
-
-
71549157460
-
A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation
-
Liu, F. Y., Y. J. Liu, L. De Vico, and, R. Lindh, (2009) A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation. Chem. Phys. Lett. 484, 69-75.
-
(2009)
Chem. Phys. Lett.
, vol.484
, pp. 69-75
-
-
Liu, F.Y.1
Liu, Y.J.2
De Vico, L.3
Lindh, R.4
-
8
-
-
70249103205
-
Theoretical study of the chemiluminescent decomposition of dioxetanone
-
Liu, F. Y., Y. J. Liu, L. De Vico, and, R. Lindh, (2009) Theoretical study of the chemiluminescent decomposition of dioxetanone. J. Am. Chem. Soc. 131, 6181-6188.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 6181-6188
-
-
Liu, F.Y.1
Liu, Y.J.2
De Vico, L.3
Lindh, R.4
-
9
-
-
34548294633
-
Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered
-
De Vico, L., Y. J. Liu, J. W. Krogh, and, R. Lindh, (2007) Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered. J. Phys. Chem. A 111, 8013-8019.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 8013-8019
-
-
De Vico, L.1
Liu, Y.J.2
Krogh, J.W.3
Lindh, R.4
-
10
-
-
79851505112
-
Intramolecular charge-transfer-induced decomposition promoted by an aprotic polar solvent for bicyclic dioxetanes bearing a 4-(benzothiazol-2-yl)-3- hydroxyphenyl moiety
-
Tanimura, M., N. Watanabe, H. K. Ijuin, and, M. Matsumoto, (2011) Intramolecular charge-transfer-induced decomposition promoted by an aprotic polar solvent for bicyclic dioxetanes bearing a 4-(benzothiazol-2-yl)-3- hydroxyphenyl moiety. J. Org. Chem. 76, 902-908.
-
(2011)
J. Org. Chem.
, vol.76
, pp. 902-908
-
-
Tanimura, M.1
Watanabe, N.2
Ijuin, H.K.3
Matsumoto, M.4
-
11
-
-
28744448583
-
Decomposition reaction of dioxetanone in firefly bioluminescence by computer experiment
-
Wada, N., and, H. Sakai, (2005) Decomposition reaction of dioxetanone in firefly bioluminescence by computer experiment. J. Biol. Phys. 31, 403-412.
-
(2005)
J. Biol. Phys.
, vol.31
, pp. 403-412
-
-
Wada, N.1
Sakai, H.2
-
12
-
-
20944447380
-
Mechanistic insights in charge-transfer-induced luminescence of 1,2-dioxetanones with a substituent of low oxidation potential
-
Isobe, H., Y. Takano, M. Okumura, S. Kuramitsu, and, K. Yamaguchi, (2005) Mechanistic insights in charge-transfer-induced luminescence of 1,2-dioxetanones with a substituent of low oxidation potential. J. Am. Chem. Soc. 127, 8667-8679.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 8667-8679
-
-
Isobe, H.1
Takano, Y.2
Okumura, M.3
Kuramitsu, S.4
Yamaguchi, K.5
-
13
-
-
0037905684
-
Theoretical study of the amazing firefly bioluminescence: The formation and structures of the light emitters
-
Orlova, G., J. D. Goddard, and, L. Y. Brovko, (2003) Theoretical study of the amazing firefly bioluminescence: The formation and structures of the light emitters. J. Am. Chem. Soc. 125, 6962-6971.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 6962-6971
-
-
Orlova, G.1
Goddard, J.D.2
Brovko, L.Y.3
-
14
-
-
58149169038
-
Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection
-
Chung, L. W., S. Hayashi, M. Lundberg, T. Nakatsu, H. Kato, and, K. Morokuma, (2008) Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection. J. Am. Chem. Soc. 130, 12880-12881.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 12880-12881
-
-
Chung, L.W.1
Hayashi, S.2
Lundberg, M.3
Nakatsu, T.4
Kato, H.5
Morokuma, K.6
-
15
-
-
84962343738
-
The formation and decomposition of firefly dioxetanone
-
Min, C.-G., A.-M. Ren, X.-N. Li, J.-F. Guo, L.-Y. Zou, Y. Sun, J. D. Goddard, and, C.-C. Sun, (2011) The formation and decomposition of firefly dioxetanone. Chem. Phys. Lett. 506, 269-275.
-
(2011)
Chem. Phys. Lett.
, vol.506
, pp. 269-275
-
-
Min, C.-G.1
Ren, A.-M.2
Li, X.-N.3
Guo, J.-F.4
Zou, L.-Y.5
Sun, Y.6
Goddard, J.D.7
Sun, C.-C.8
-
16
-
-
84863891860
-
Mechanistic Insight into the chemiluminescent decomposition of firefly dioxetanone
-
Yue, L., Y.-J. Liu, and, W.-H. Fang, (2012) Mechanistic Insight into the chemiluminescent decomposition of firefly dioxetanone. J. Am. Chem. Soc. 134, 11632-11639.
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 11632-11639
-
-
Yue, L.1
Liu, Y.-J.2
Fang, W.-H.3
-
17
-
-
0002552327
-
The chemi- and bioluminescence of firefly luciferin: An efficient chemical production of electronically excited states
-
White, E. H., E. Rapaport, H. H. Seliger, and, T. A. Hopkins, (1971) The chemi- and bioluminescence of firefly luciferin: An efficient chemical production of electronically excited states. Bioorg. Chem. 1, 92-122.
-
(1971)
Bioorg. Chem.
, vol.1
, pp. 92-122
-
-
White, E.H.1
Rapaport, E.2
Seliger, H.H.3
Hopkins, T.A.4
-
18
-
-
79952576501
-
Systematic theoretical investigation on the light emitter of firefly
-
Chen, S.-F., Y.-J. Liu, I. Navizet, N. Ferré, W.-H. Fang, and, R. Lindh, (2011) Systematic theoretical investigation on the light emitter of firefly. J. Chem. Theory Comput. 7, 798-803.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 798-803
-
-
Chen, S.-F.1
Liu, Y.-J.2
Navizet, I.3
Ferré, N.4
Fang, W.-H.5
Lindh, R.6
-
19
-
-
74949091138
-
Color-tuning mechanism of firefly investigated by multi-configurational perturbation method
-
Navizet, I., Y. J. Liu, N. Ferré, H. Y. Xiao, W. H. Fang, and, R. Lindh, (2010) Color-tuning mechanism of firefly investigated by multi-configurational perturbation method. J. Am. Chem. Soc. 132, 706-712.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 706-712
-
-
Navizet, I.1
Liu, Y.J.2
Ferré, N.3
Xiao, H.Y.4
Fang, W.H.5
Lindh, R.6
-
20
-
-
75749083809
-
-
Gaussian Inc.: Wallingford, CT
-
Frisch, M., G. Trucks, H. Schlegel, G. Scuseria, M. Robb, J. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, and, G. Petersson, (2009) Gaussian 09, Revision A. 02. Gaussian Inc.: Wallingford, CT.
-
(2009)
Gaussian 09, Revision A. 02
-
-
Frisch, M.1
Trucks, G.2
Schlegel, H.3
Scuseria, G.4
Robb, M.5
Cheeseman, J.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.10
-
21
-
-
17544369194
-
Computation of conical intersections by using perturbation techniques
-
Serrano-Andrés, L., M. Merchan, and, R. Lindh, (2005) Computation of conical intersections by using perturbation techniques. J. Chem. Phys. 122, 104107-104110.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 104107-104110
-
-
Serrano-Andrés, L.1
Merchan, M.2
Lindh, R.3
-
22
-
-
72449122456
-
MOLCAS 7: The next generation
-
Aquilante, F., L. De Vico, N. Ferré, G. Ghigo, P. Malmqvist, T. Pedersen, M. Pitonak, M. Reiher, B. O. Roos, L. Serrano-Andrés, M. Urban, V. Veryazov, and, R. Lindh, (2010) MOLCAS 7: The next generation. J. Comput. Chem. 31, 224.
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 224
-
-
Aquilante, F.1
De Vico, L.2
Ferré, N.3
Ghigo, G.4
Malmqvist, P.5
Pedersen, T.6
Pitonak, M.7
Reiher, M.8
Roos, B.O.9
Serrano-Andrés, L.10
Urban, M.11
Veryazov, V.12
Lindh, R.13
-
23
-
-
0003684555
-
-
version 5.1; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St. Louis, MO
-
Ponder, J. W., (2004) TINKER, Software Tools for Molecular Design, version 5.1; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St. Louis, MO. Available at: http://dasher.wustl. edu/tinker.
-
(2004)
TINKER, Software Tools for Molecular Design
-
-
Ponder, J.W.1
-
24
-
-
78149363124
-
Strong electron correlation in the decomposition reaction of dioxetanone with implications for firefly bioluminescence
-
Greenman, L., and, D. A. Mazziotti, (2010) Strong electron correlation in the decomposition reaction of dioxetanone with implications for firefly bioluminescence. J. Chem. Phys. 133, 164110.
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 164110
-
-
Greenman, L.1
Mazziotti, D.A.2
-
25
-
-
79961134132
-
Dynamics on the electronically excited state surface of the bioluminescent firefly luciferase-oxyluciferin system
-
Song, C.-I., and, Y. M. Rhee, (2011) Dynamics on the electronically excited state surface of the bioluminescent firefly luciferase-oxyluciferin system. J. Am. Chem. Soc. 133, 12040-12049.
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 12040-12049
-
-
Song, C.-I.1
Rhee, Y.M.2
|