Literature DB >> 10034973

Quantum simulation of hydrogen in metals.

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Abstract

Entities:  

Year:  1987        PMID： 10034973     DOI： 10.1103/PhysRevLett.58.563

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN： 0031-9007            Impact factor:   9.161


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  11 in total

Review 1.  Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions.

Authors:  Jingzhi Pu; Jiali Gao; Donald G Truhlar
Journal:  Chem Rev       Date:  2006-08       Impact factor: 60.622

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

Authors:  Jiali Gao; Kin-Yiu Wong; Dan T Major
Journal:  J Comput Chem       Date:  2008-03       Impact factor: 3.376

4.  Differential quantum tunneling contributions in nitroalkane oxidase catalyzed and the uncatalyzed proton transfer reaction.

Authors:  Dan T Major; Annie Heroux; Allen M Orville; Michael P Valley; Paul F Fitzpatrick; Jiali Gao
Journal:  Proc Natl Acad Sci U S A       Date:  2009-11-19       Impact factor: 11.205

5.  Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.

Authors:  Qi Guo; Lokesh Gakhar; Kyle Wickersham; Kevin Francis; Alexandra Vardi-Kilshtain; Dan T Major; Christopher M Cheatum; Amnon Kohen
Journal:  Biochemistry       Date:  2016-05-03       Impact factor: 3.162

6.  Ab initio path-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models.

Authors:  Kin-Yiu Wong; Yuqing Xu; Darrin M York
Journal:  J Comput Chem       Date:  2014-05-20       Impact factor: 3.376

Review 7.  Hydrogen tunneling in enzymes and biomimetic models.

Authors:  Joshua P Layfield; Sharon Hammes-Schiffer
Journal:  Chem Rev       Date:  2013-12-20       Impact factor: 60.622

8.  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

9.  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

10.  Computation of kinetic isotope effects for enzymatic reactions.

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