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intrinsic reaction path
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On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path
Journal of Chemical Theory and Computation
◽
10.1021/acs.jctc.6b00402
◽
2016
◽
Vol 12
(10)
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pp. 4925-4933
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Cited By ~ 20
Author(s):
Alessio Petrone
◽
Paola Cimino
◽
Greta Donati
◽
Hrant P. Hratchian
◽
Michael J. Frisch
◽
...
Keyword(s):
Driving Force
◽
Density Functional
◽
Fluorescent Protein
◽
Reaction Path
◽
Protein A
◽
Time Dependent
◽
Functional Theory
◽
Td Dft
◽
Green Fluorescent
◽
Intrinsic Reaction Path
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Explicit definition of the reaction coordinate for the Jackels?Gu?Truhlar projection technique to compute harmonic vibrational frequencies along the intrinsic reaction path
Theoretical Chemistry Accounts
◽
10.1007/s00214-003-0560-1
◽
2004
◽
Vol 112
(2)
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pp. 68-74
◽
Cited By ~ 2
Author(s):
Gregory A. Natanson
Keyword(s):
Reaction Path
◽
Vibrational Frequencies
◽
Reaction Coordinate
◽
Projection Technique
◽
Explicit Definition
◽
Definition Of
◽
Intrinsic Reaction Path
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Theoretical investigation of the intrinsic reaction path (IRC) of the methylation of mono-substituted aromatic molecules over Faujasite catalysts
Studies in Surface Science and Catalysis - 12th International Congress on Catalysis, Proceedings of the 12th ICC
◽
10.1016/s0167-2991(00)80364-x
◽
2000
◽
pp. 1211-1216
Author(s):
K.H.L. Nulens
◽
A.M. Vos
◽
G.O.A. Janssens
◽
R.A. Schoonheydt
Keyword(s):
Theoretical Investigation
◽
Reaction Path
◽
Aromatic Molecules
◽
Intrinsic Reaction Path
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