Conformational structures, energies, rotational barrier heights and torsional force constants in the acid halides XH2CCYO and X2HCCYO (Y=F,Cl,Br and X=Cl,Br)-Reference-Cited by-同舟云学术

Conformational structures, energies, rotational barrier heights and torsional force constants in the acid halides XH2CCYO and X2HCCYO (Y=F,Cl,Br and X=Cl,Br)

Published:1990-04 Issue: Volume:221 Page:95-101
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Lund Astrid,Stølevik Reidar

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference6 articles.

1. Non-bonded potentials for the atom—atom interactions Cl⋯OC and H⋯OC as derived from gas-phase data using molecular-mechanics calculations

2. Torsional potentials and conformational structures in the halogen substituted molecules HOCCH2X, HOCCHX2, XOCCH2X, XOCCHX2, XH2CCOCH3, X2HCCOCH3, (XH2C)2CO, (X2HC)2CO, and (X3C)2CO (X = Cl, Br) as determined by molecular-mechanics calculations

3. The morse curve as a non-bonded potential function

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