(Q37176634)

English

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

scientific article published on September 2008

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

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

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

perturbation theory

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object named as

Kin-Yiu Wong

1

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author name string

Jiali Gao

2

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

publication date

1 September 2008

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Europe PubMed Central

PMC publication ID

18 August 2017

Journal of Chemical Theory and Computation

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Europe PubMed Central

PMC publication ID

18 August 2017

4

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

9

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

1409-1422

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

The development of the space-time view of quantum electrodynamics

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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Convergent Strong-Coupling Expansions from Divergent Weak-Coupling Perturbation Theory

1 reference

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6 September 2017

Effective classical partition functions

1 reference

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A combined quantum mechanical and molecular mechanical study of the reaction mechanism and alpha-amino acidity in alanine racemase

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Implementation of the bisection sampling method in path integral simulations

1 reference

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14 September 2017

Hydrogen tunneling in enzyme reactions

1 reference

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27 June 2018

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.

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Effective classical partition functions with an improved time-dependent reference potential.

1 reference

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3 September 2018

High-order variational perturbation theory for the free energy.

1 reference

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The nature and transport mechanism of hydrated hydroxide ions in aqueous solution.

1 reference

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

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Ab initio centroid path integral molecular dynamics: application to vibrational dynamics of diatomic molecular systems

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Temperature-dependent quantum pair potentials and their application to dense partially ionized hydrogen plasmas

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Quantum effects on hydrogen isotope adsorption on single-wall carbon nanohorns

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

1 reference

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HD isotope effect on the dihydrogen bond of NH+4...BeH2 by ab initio path integral molecular dynamics simulation

1 reference

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Quantum effects in liquid water from an ab initio-based polarizable force field

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

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On the Quantum Nature of the Shared Proton in Hydrogen Bonds

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Determination of free energies of an oscillator with mixed quartic and sextic anharmonicities

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Identifiers

10.1021/CT800109S

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

18 August 2017

ResearchGate publication ID

0 references

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