(Q37380417)

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Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids

scientific article published on October 2009

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scholarly article

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Europe PubMed Central

PMC publication ID

20 August 2017

Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (English)

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

John P. Richard

2

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

1

0 references

author name string

Jiali Gao

3

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

language of work or name

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publication date

1 October 2009

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Europe PubMed Central

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20 August 2017

Journal of the American Chemical Society

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Europe PubMed Central

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20 August 2017

131

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Europe PubMed Central

PMC publication ID

20 August 2017

39

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

13963-13971

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory

1 reference

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6 September 2017

Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water.

1 reference

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6 September 2017

A simple method to determine kinetic deuterium isotope effects provides evidence that proton transfer to carbon proceeds over and not through the reaction barrier

1 reference

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6 September 2017

A Marcus treatment of rate constants for protonation of ring-substituted alpha-methoxystyrenes: intrinsic reaction barriers and the shape of the reaction coordinate

1 reference

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Modeling the kinetics of bimolecular reactions

1 reference

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Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions

1 reference

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

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Effective classical partition functions

1 reference

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Structure and function of a squalene cyclase

1 reference

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Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules.

1 reference

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Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and He(4).

1 reference

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Cyclization cascade of the C33-bisnorheptaprenoid catalyzed by recombinant squalene cyclase

1 reference

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An automated integration-free path-integral method based on Kleinert's variational perturbation theory

1 reference

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Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.

1 reference

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Balancing Kinetic and Thermodynamic Control: the Mechanism of Carbocation Cyclization by Squalene Cyclase

1 reference

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2 September 2018

Enzyme Mechanisms for Polycyclic Triterpene Formation

1 reference

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2 October 2018

Variational approach to quantum statistical mechanics of nonlinear systems with application to sine-Gordon chains

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Nuclear quantum effects on an enzyme-catalyzed reaction with reaction path potential: proton transfer in triosephosphate isomerase

1 reference

https://pubmed.ncbi.nlm.nih.gov/19754046

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantum simulation of hydrogen in metals

1 reference

https://pubmed.ncbi.nlm.nih.gov/19754046

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JA905081X

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

ResearchGate publication ID

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