Literature DB >> 9897894

Effective classical partition functions.

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Abstract

Year:  1986        PMID： 9897894     DOI： 10.1103/physreva.34.5080

Source DB:  PubMed          Journal:  Phys Rev A Gen Phys        ISSN： 0556-2791


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  12 in total

1.  Static and dynamic quantum effects in molecular liquids: a linearized path integral description of water.

Authors:  Jens Aage Poulsen; Gunnar Nyman; Peter J Rossky
Journal:  Proc Natl Acad Sci U S A       Date:  2005-04-28       Impact factor: 11.205

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

Authors:  Kin-Yiu Wong; Jiali Gao
Journal:  J Chem Phys       Date:  2007-12-07       Impact factor: 3.488

3.  Formulation of state projected centroid molecular dynamics: Microcanonical ensemble and connection to the Wigner distribution.

Authors:  Lindsay Orr; Lisandro Hernández de la Peña; Pierre-Nicholas Roy
Journal:  J Chem Phys       Date:  2017-06-07       Impact factor: 3.488

4.  Connecting protein conformational dynamics with catalytic function as illustrated in dihydrofolate reductase.

Authors:  Yao Fan; Alessandro Cembran; Shuhua Ma; Jiali Gao
Journal:  Biochemistry       Date:  2013-01-16       Impact factor: 3.162

5.  On Heisenberg Uncertainty Relationship, its extension, and the quantum issue of wave-particle duality.

Authors:  Mihai V Putz
Journal:  Int J Mol Sci       Date:  2010-10-22       Impact factor: 5.923

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

Authors:  Kin-Yiu Wong; John P Richard; Jiali Gao
Journal:  J Am Chem Soc       Date:  2009-10-07       Impact factor: 15.419

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

Authors:  Kin-Yiu Wong; Jiali Gao
Journal:  J Chem Theory Comput       Date:  2008-09-09       Impact factor: 6.006

8.  Computation of kinetic isotope effects for enzymatic reactions.

Authors:  Jiali Gao
Journal:  Sci China Chem       Date:  2012-12       Impact factor: 9.445

Review 9.  Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

Authors:  Mihai V Putz
Journal:  Int J Mol Sci       Date:  2009-11-10       Impact factor: 6.208

10.  Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions.

Authors:  Ryan Babbush; John Parkhill; Alán Aspuru-Guzik
Journal:  Front Chem       Date:  2013-10-25       Impact factor: 5.221
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