Torsional potentials in halogen derivatives of 2-methylpropanal obtained by molecular mechanics calculations
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference10 articles.
1. Non-bonded potentials for the atom—atom interactions Cl⋯OC and H⋯OC as derived from gas-phase data using molecular-mechanics calculations
2. Torsional potentials and conformational structures in the halogen substituted molecules HOCCH2X, HOCCHX2, XOCCH2X, XOCCHX2, XH2CCOCH3, X2HCCOCH3, (XH2C)2CO, (X2HC)2CO, and (X3C)2CO (X = Cl, Br) as determined by molecular-mechanics calculations
3. A. Lund and R. Stølevik, J. Mol. Struct., in press.
4. Torsional potentials and conformational structures for 3-chloropropanal ClH2CCH2CHO and 3-chloropropanoyl chloride ClH2CCH2CClO and parameter values for the nonbonding interaction C(sp3) ⋯ O(carbonyl) as used in molecular-mechanics calculations
5. Torsional potentials and conformational structures in chloro and bromo derivatives of propenal and propenoic acid obtained by molecular-mechanics calculations
Cited by 5 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Theoretical study of the structure of 2-methylpropanal in the ground electronic state: Three-dimensional model for torsional vibrations;Journal of Molecular Structure: THEOCHEM;2007-11
2. Molecular Structure and Conformational Composition of 2-Methylpropanal and 2-Methylpropionyl Chloride: a Gas-Phase Electron Diffraction and ab Initio Investigation;The Journal of Physical Chemistry;1994-03
3. Torsional potentials and conformational structures in chloro-substituted propanals as determined by molecular mechanics calculations;Journal of Molecular Structure;1993-12
4. van der Waals functional forms for molecular simulations;The Journal of Chemical Physics;1992-07-15
5. ChemInform Abstract: Torsional Potentials in Halogen Derivatives of 2-Methylpropanal Obtained by Molecular Mechanics Calculations.;ChemInform;1990-07-31
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