Theoretical study of the gauche–trans equilibrium with and without an intramolecular hydrogen bond for +H3NCH2CH2X systems (X = OH, NH2, COO−) in solution-Reference-Cited by-同舟云学术

Theoretical study of the gauche–trans equilibrium with and without an intramolecular hydrogen bond for +H3NCH2CH2X systems (X = OH, NH2, COO−) in solution

Published:2012 Issue:40 Volume:14 Page:13955
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Nagy Peter I.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2012/CP/C2CP42240A

Reference37 articles.

1. Theoretical Studies of the Solvent Effect on the Conformation of the HO–C–C–X (X = F, NH2, NO2) Moiety with Competing Intra- and Intermolecular Hydrogen Bonds

2. Theoretical Analyses of the Tautomeric and Conformational Equilibria of Histamine and (.alpha.R,.beta.S)-.alpha.,.beta.-Dimethylhistamine in the Gas Phase and Aqueous Solution

3. Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Norepinephrine

4. Theoretical Calculation of the OH Vibrational Overtone Spectra of 1,5-Pentanediol and 1,6-Hexanediol

5. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

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