Ab Initio Molecular Dynamics Computation of the Infrared Spectrum of Aqueous Uracil-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics Computation of the Infrared Spectrum of Aqueous Uracil

Published:2003-08-21 Issue:38 Volume:107 Page:10344-10358
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Gaigeot Marie-Pierre¹,Sprik Michiel²

Affiliation:

1. Laboratoire de Physicochimie Biomoléculaire et Cellulaire, UMR CNRS 7033, Université Pierre et Marie Curie, 4 Place Jussieu, Case courrier 138, F-75252 Paris Cedex 05, France

2. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp034788u

Reference96 articles.

1. Unified Approach for Molecular Dynamics and Density-Functional Theory

2. Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient‐corrected density functionals

3. Structural, electronic, and bonding properties of liquid water from first principles

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