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) ◽

pp. 4925-4933 ◽

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) ◽

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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intrinsic reaction pathRecently Published Documents

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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

Explicit definition of the reaction coordinate for the Jackels?Gu?Truhlar projection technique to compute harmonic vibrational frequencies along the intrinsic reaction path

Theoretical investigation of the intrinsic reaction path (IRC) of the methylation of mono-substituted aromatic molecules over Faujasite catalysts

intrinsic reaction path
Recently Published Documents