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Molecular dynamics / Hydronium / Ion-association / Glycoside hydrolase / Chemistry / Substitution reactions / SN1 reaction


Williams, I. H., Ruiz-Pernia, J. J. and Tunon, I[removed]Does glycosyl transfer involve an oxacarbenium intermediate? Computational simulation of the lifetime of the methoxymethyl cation in water. Pure and Applied Chemis
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Document Date: 2015-02-28 07:50:09


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City

Busan / Cambridge / London / /

Company

RSC Publishing / /

Country

Korea / United Kingdom / /

Facility

University of Bath / DYNAMO library / University of Valencia / /

IndustryTerm

active site / sialic acid product / shallow free-energy minimum / shallow free-energy well corresponding / enzyme active site / free energy / free-energy differences / chemical bond making / gas-phase difference / 2D free-energy surfaces / corrected energy / potential energy function / free-energy surface / potential energy surfaces / classical activation energy / free-energy barrier / vibrational zero-point energy / aqueous solution / potential-energy / energy / /

MarketIndex

set 200 / /

Organization

DN / University of Bath / Bath / University of Valencia / University of Bath Online Publication Store / /

Person

J. Javier Ruiz / D. C. Phillips / V / Nat / S. Martí / V / /

Position

model for glycoside hydrolysis / ‡Corresponding author / /

Product

Tamiflu / Relenza / /

ProgrammingLanguage

RC / K / /

ProvinceOrState

Maryland / /

PublishedMedium

Pure and Applied Chemistry / /

Technology

dielectric / spectroscopy / microwave / simulation / /

URL

http /

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