Molecular mechanics studies on chamazulene

Sathyanarayanamoorthi, V. and Mahalakshmi, S. (2007) Molecular mechanics studies on chamazulene. ASIAN JOURNAL OF CHEMISTRY, 19.0 (5). pp. 3440-3444. ISSN 0970-7077

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Abstract

The molecular mechanics studies have been undertaken to identify the presence of stable conformers. The attached methyl and ethyl groups are rotated one by one for various dihedral angles and minimum conformational energy of the molecule is recorded. Various parameters such as compression energy, bending energy, torsional energy and van der Waal's energy of the molecule are recorded. The final steric energy and related thermodynamic quantity are found. The heat of formation and related strain energy are also noted.

Item Type: Article
Uncontrolled Keywords: chamazulene, steric energy, dipole moment
Depositing User: Unnamed user with email techsupport@mosys.org
Last Modified: 06 Feb 2026 06:51
URI: https://ir.vmrfdu.edu.in/id/eprint/6159

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