Constrained variation of molecular geometry using formac
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,Applied Microbiology and Biotechnology,Biotechnology
Reference6 articles.
1. Method for Calculation of the Conformation of Minimum Potential‐Energy and Thermodynamic Functions of Molecules from Empirical Valence‐Force Potentials—Application to the Cyclophanes
2. The use of constraints in the evaluation of molecular strain energies specified by empirical valence-force potentials
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1. Application of Molecular Mechanics Calculations to Organic Chemistry;Topics in Stereochemistry;2007-02-26
2. Study of Lithium Cation in Water Clusters: Based on Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics;The Journal of Physical Chemistry A;2005-04-16
3. Hydration of Li+-ion in atom-bond electronegativity equalization method–7P water: A molecular dynamics simulation study;The Journal of Chemical Physics;2005-02-22
4. An ab initio investigation of lithium ion hydration. II. Tetra- versus hexacoordination and halide complexes;International Journal of Quantum Chemistry;2000
5. Mechanisms of conformational chirality inversion in bicyclo[4.2.1]nonan-9-one and bicyclo[4.2.2]decane as studied in two-parametric torsional energy surfaces;Journal of Computational Chemistry;1982
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