DFT calculations and NMR measurements applied to the conformational analysis of cis and trans -3-phenylaminocyclohexyl N,N -dimethylcarbamates-Reference-Cited by-同舟云学术

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DFT calculations and NMR measurements applied to the conformational analysis of cis and trans -3-phenylaminocyclohexyl N,N -dimethylcarbamates

Published:2018-07 Issue: Volume:1163 Page:227-235
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Melo Ulisses Zonta de,Yamazaki Diego Alberto dos Santos,Cândido Augusto de Araújo,Basso Ernani Abicht,Gauze Gisele de Freitas

Funder

Brazilian Council for Scientific and Technological Development (CNPq)

Araucária Foundation

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference39 articles.

1. Theoretical and NMR experimental insights on urea, thiourea and diindolyurea as fluoride carriers;Mendonça;J. Mol. Struct.,2016

2. Synthesis of seven-membered fused sultones by reductive Heck cyclization: an investigation for stereochemistry through DFT study;Mondal;Tetrahedron,2015

3. Solvent influence on cellulose 1,4-β-glycosidic bond cleavage: a molecular dynamics and metadynamics study;Loerbroks;Chem. A Eur. J.,2015

4. High-temperature molecular dynamics simulation of cellobiose and maltose;Murillo;AIChE J.,2015

5. Factors affecting the computation of the 13C shielding in disaccharides;Garay;J. Comput. Chem.,2014

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1. Effect of NMR solvent on 1,4-dinitrocyclohexane-2,3,5,6-tetranitrate structure;Journal of Molecular Structure;2024-01

2. Dynamics and Entropy of Cyclohexane Rings Control pH-Responsive Reactivity;JACS Au;2021-09-24

3. Strong hyperconjugative interactions limit solvent and substituent influence on conformational equilibrium: the case of cis-2-halocyclohexylamines;Beilstein Journal of Organic Chemistry;2019-04-01

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