Prediction of conformational population of large cycloalkanes using ab initio correlated methods: Cycloundecane, cyclododecane, and cyclotridecane-Reference-Cited by-同舟云学术

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Prediction of conformational population of large cycloalkanes using ab initio correlated methods: Cycloundecane, cyclododecane, and cyclotridecane

Published:2012-04-13 Issue:19 Volume:112 Page:3188-3197
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Dos Santos Hélio F.,Franco Mauro L.,Venâncio Mateus F.,Ferreira Dalva E. C.,Anconi Cleber P. A.,Rocha Willian R.,De Almeida Wagner B.

Funder

Brazilian agencies CNPq (Conselho Nacional de Desenvolvimento Científico e Tecnológico) and FAPEMIG

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.24119/fullpdf

Reference42 articles.

1. Comparative conformational studies of cyclic derivatives by13C NMR spectroscopy

2. Fascination with the Conformational Analysis of Succinic Acid, as Evaluated by NMR Spectroscopy, and Why

3. The identification of the two missing conformers of gas-phase alanine: a jet-cooled Raman spectroscopy study

4. Conformational Equilibrium in Glycine: Experimental Jet-Cooled Raman Spectrum

5. Polar (Acyclic) Isomer of Formic Acid Dimer: Gas-Phase Raman Spectroscopy Study and Thermodynamic Parameters

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1. Structure‐dependence in initial decomposition of trans‐1,2‐dimethylcyclohexyl isomers: Kinetic exploration and conformational analysis;International Journal of Quantum Chemistry;2022-03

2. Computational study of inversion‐topomerization pathways in 1, 3‐dimethylcyclohexane and 1, 4‐dimethylcyclohexane : Ab initio conformational analysis;International Journal of Quantum Chemistry;2021-03-03

3. Impact of conformational structures on primary decomposition of cis-1,2-dimethylcyclohexyl isomers: A theoretical study;Combustion and Flame;2019-07

4. Conformational inversion-topomerization processes of ethylcyclohexane and 1,2-dimethylcyclohexane: A computational investigation;Tetrahedron;2019-01

5. Internal rotation for predicting conformational population of 1,2-difluorethane and 1,2-dichloroethane;Chemical Physics;2016-06

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