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

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scientific article published on October 2009

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rdf:type	Item
description	videnskabelig artikel (da) article científic (ca) articolo scientifico (it) artigo científico (pt) bilimsel makale (tr) vedecký článok (sk) vetenskaplig artikel (sv) vědecký článek (cs) wetenschappelijk artikel (nl) wissenschaftlicher Artikel (de) научни чланак (sr) article scientifique (fr) artículu científicu espublizáu en 2009 (ast) наукова стаття, опублікована в жовтні 2009 (uk) مقالة علمية نشرت في أكتوبر 2009 (ar) scientific article published on October 2009 (en)
publication date	wds:Q37380417-2AEA20B8-E8B2-4110-A250-79422C8D8F12
publication date	2009-10-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q37380417-0B13AB53-90E9-4F1F-AC22-E1E09091F916
language of work or name	English
cites work	wds:Q37380417-02AFB593-26C5-48F2-8830-BE7DC2417D8F wds:Q37380417-078B96D6-FB47-4695-A1DD-915AEFF76C6E wds:Q37380417-23B567D1-E939-46BF-B588-15ED7FA9058F wds:Q37380417-23FF0D1C-3CB4-4073-BF5F-80F6319B3146 wds:Q37380417-2453DE9A-9027-4E75-A552-42D14C0994AD wds:Q37380417-2E9AC4D0-A95C-4F66-B626-27F64E57A11D wds:Q37380417-3858787B-1F48-480D-9AE3-E136EC80A4B4 wds:Q37380417-477EAFBA-2EC5-4878-A98A-DDBB2F00C936 wds:Q37380417-6503EDD3-4BCA-40C9-979F-826B2333558E wds:Q37380417-67476B78-B722-4411-9EE4-5A99F9F24FED wds:Q37380417-7E12E29F-597B-4B12-B1E8-97BC9823EC7A wds:Q37380417-897CAF8A-EB9B-4F21-981E-4AD5A181861A wds:Q37380417-8DBFF4C6-F9EA-4444-8067-1FDE6599AEC3 wds:Q37380417-9C5AFB34-CCFB-471B-AC45-FF9458508B2A wds:Q37380417-9CF28E3C-E9A5-4D34-BB61-41C92D50AB8F wds:Q37380417-B7298B9C-3628-4FFE-AD1C-F9EBD4098999 wds:Q37380417-D10FD32B-7A9E-413D-8B0C-5919EC2525F9 wds:Q37380417-D873BDED-8387-455B-931D-37115E68CBB7 wds:Q37380417-DCACA281-CF1D-4732-985F-7AEDCDBFA67D
cites work	Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Structure and function of a squalene cyclase Balancing Kinetic and Thermodynamic Control: the Mechanism of Carbocation Cyclization by Squalene Cyclase Cyclization cascade of the C33-bisnorheptaprenoid catalyzed by recombinant squalene cyclase Enzyme Mechanisms for Polycyclic Triterpene Formation Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions Modeling the kinetics of bimolecular reactions Effective classical partition functions Variational approach to quantum statistical mechanics of nonlinear systems with application to sine-Gordon chains Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water. A simple method to determine kinetic deuterium isotope effects provides evidence that proton transfer to carbon proceeds over and not through the reaction barrier A Marcus treatment of rate constants for protonation of ring-substituted alpha-methoxystyrenes: intrinsic reaction barriers and the shape of the reaction coordinate A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory An automated integration-free path-integral method based on Kleinert's variational perturbation theory Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes. Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and He(4). Nuclear quantum effects on an enzyme-catalyzed reaction with reaction path potential: proton transfer in triosephosphate isomerase Quantum simulation of hydrogen in metals
author name string	wds:Q37380417-DC6EDF6D-CD64-4F04-8FF0-1DAFFDFAE426
author name string	Jiali Gao
rdfs:label	Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids. (nl) Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (en) Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (ast)
skos:prefLabel	Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids. (nl) Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (en) Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (ast)
name	Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids. (nl) Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (en) Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (ast)
author	wds:Q37380417-2D13D6E9-86BF-4B70-8F92-8AE46C07419B wds:Q37380417-6E72875D-35DB-4565-860E-51B9512AE914
author	John P. Richard Kin-Yiu Wong
title	wds:Q37380417-91FDCB9A-00C1-4D29-8BDF-0F792D4E56C4
title	Theoretical analysis of kinetic isotope effects on proton transfer reactions between substituted alpha-methoxystyrenes and substituted acetic acids (en)
page(s)	wds:Q37380417-5F0AE65A-74E4-4517-91AD-ABDD0B574179
page(s)	13963-13971
instance of	wds:Q37380417-E10AA4AA-B38B-4658-AD3C-9D4E2B17A570
instance of	scholarly article
PubMed ID	wds:Q37380417-479D78EE-442D-46E1-8E97-DF060B0FEADC
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/19754046
PubMed ID	19754046
published in	wds:Q37380417-A217942D-0FCE-4A2E-B244-A0CB12ECDE2E
published in	Journal of the American Chemical Society
issue	wds:Q37380417-C9CAA76C-D7A1-44A4-BAA4-9A49745D9684
volume	wds:Q37380417-E2CCA3FC-C66E-4EAF-BA06-B7874CE1FA16
issue	39
volume	131
DOI	wds:Q37380417-B57781E7-8925-477F-865B-C9C99FD32276
DOI	http://dx.doi.org/10.1021/JA905081X
DOI	10.1021/JA905081X
ResearchGate publication ID	wds:Q37380417-17ABB174-EC29-4B64-A523-BF4374F74180
ResearchGate publication ID	26811996
PMCID	wds:Q37380417-C3F65DE6-B774-48FE-BE6B-26DF8C2F6B1E
PMCID	2759073
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q37380417
is cites work of	Characterization of the reaction path and transition states for RNA transphosphorylation models from theory and experiment Kinetic isotope effects in asymmetric reactions Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation

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