Fourier type potential energy function for conformational change of selected organic functional groups-Reference-Cited by-同舟云学术

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Fourier type potential energy function for conformational change of selected organic functional groups

Published:2014-04 Issue: Volume:599 Page:169-174
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Rágyanszki Anita,Surányi Attila,Csizmadia Imre G.,Kelemen András,Knak Jensen Svend J.,Uysal Selma Yarligan,Viskolcz Béla

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference20 articles.

1. Theoretical determination of molecular structure and conformation. I. The role of basis set and correlation effects in calculations on hydrogen peroxide

2. Analysis of the topological features of the conformational hypersurface of n-butane

3. Thermodynamic functions of conformational changes, part IV: Functional analysis of conformational entropy of substituted ethane and methanol

4. Thermodynamic functions of conformational changes I. A comparative first principles study of 1,2-disubstituted ethanes

5. Thermodynamic Functions of Conformational Changes. 2. Conformational Entropy as a Measure of Information Accumulation

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1. Chemical space of the singlet C4H8O2 species. A systematic theoretical analysis on their structural and thermochemical properties;Computational and Theoretical Chemistry;2023-07

2. An improved two-rotor function for conformational potential energy surfaces of 20 amino acid diamides;Canadian Journal of Chemistry;2018-01

3. Dimension reduction in conformational analysis: a two-rotor mathematical model of amino acid diamide conformational potential energy surface;Canadian Journal of Chemistry;2017-08

4. Big data reduction by fitting mathematical functions;Chemical Physics Letters;2015-04

5. Quantum Chemical Calculations on Small Protein Models;Protein Modelling;2014

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