When Is a Molecule Properly Solvated by a Continuum Model or in a Cluster Ansatz? A First-Principles Simulation of Alanine Hydration-Reference-Cited by-同舟云学术

When Is a Molecule Properly Solvated by a Continuum Model or in a Cluster Ansatz? A First-Principles Simulation of Alanine Hydration

Published:2008-01-15 Issue:5 Volume:112 Page:1456-1464
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Thar Jens¹,Zahn Stefan¹,Kirchner Barbara¹

Affiliation:

1. Lehrstuhl für Theoretische Chemie, Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstr. 2, D-04103 Leipzig, Germany

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/jp077341k

Reference102 articles.

1. 17O NMR investigation of the hydration of L-Alanine and L-Proline in water/Me2SO mixtures

2. Raman and FTIR spectroscopic study on water structural changes in aqueous solutions of amino acids and related compounds

3. Correlating hydration shell structure with amino acid hydrophobicity

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