PUBLICACIÓN

Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology

ACCEDER A LA PUBLICACIÓN: Scopus Orcid

Garcia-Prieto F.F., Galvan I.F., Aguilar M.A., Martn M.E.

2011 JOURNAL OF CHEMICAL PHYSICS

Medicine (miscellaneous) (Q1), Physical and Theoretical Chemistry (Q1), Physics and Astronomy (miscellaneous) (Q1)

JCR: 3.333

SJR: 1.845

CITAS

26

DOI

10.1063/1.3658857

EID

2-s2.0-81855221280

ISSN

0021-9606

BIBTEX

@article { aguilar2011,title = {Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology},journal = {Journal of Chemical Physics},year = {2011},volume = {135},number = {19},author = {García-Prieto, F.F. and Galván, I.F. and Aguilar, M.A. and Martn, M.E.}}

AUTORES DE LA UEX

Manuel Ángel Aguilar Espinosa
María Elena Martín Navarro

OTRAS PUBLICACIONES DE INTERÉS

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A Theoretical Study Of Solvent Effects On The Structure And Uv–vis Spectroscopy Of 3-Hydroxyflavone (3-Hf) And Some Simplified Molecular Models
Photophysical And Photochemical Properties Of 3-Hydroxyflavone In Ethanol Solution: Implicit Vs Explicit Solvent Models
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Cavity Boundaries In The Ab Initio Polarizable Continuum Model
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Polarizable Continuum Model Calculations Including Electron Correlation In The Ab Initio Wavefunction
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Electron Correlation And Solvation Effects. Ii. The Description Of The Vibrational Properties Of A Water Molecule In A Dielectric Given By The Application Of The Polarizable Continuum Model With Inclusion Of Correlation Effects
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