Molecular mechanics calculations of conformational structures, energies and torsional force constants in some bromopropenes and bromobutenes
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference16 articles.
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2. Parameter values of non-bonded atom—atom interactions in the morse-potential formulation
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4. The morse curve as a non-bonded potential function
5. Molecular mechanics calculations of conformational structures, energies and barrier heights in chloro-and bromoalkanes
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1. Theoretical and infrared spectroscopy study of the conformational preferences for some 3-monosubstituted-2-methylpropenes;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2011-10
2. Theoretical investigation of the conformational behaviour of 3-monosubstituted 2-methylpropenes;Journal of Molecular Structure: THEOCHEM;2003-10
3. Conformational equilibria for 5-fluoro-, 5-chloro- and 5-bromo-trans-penta-1,3-diene: the effect of the halogen substituent;Journal of Raman Spectroscopy;1999-02
4. Raman and infrared spectra, conformational stability, barriers to internal rotation, vibrational assignment and ab initio calculations of trans-1-bromobut-2-ene;Journal of Raman Spectroscopy;1993-11
5. Internal rotation in halogen derivatives XHCC(CH3)CYO of 2-methylpropenal obtained by molecular mechanics calculations;Journal of Molecular Structure;1990-05
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