Molecular mechanics of alcohols
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference63 articles.
1. Conformational analysis. 118. Application of the molecular-mechanics method to alcohols and ethers
2. Calculation of alcohol conformations by molecular mechanics
3. Potential energy function for calculation of structures, vibrational spectra and thermodynamic functions of alkanes, alcohols, ethers and carbohydrates
4. Molecular-mechanics calculations for cyclic acetals of pentofuranoses, related pentitols, and C-glycosides
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1. Appendix: Published Force Field Parameters for Molecular Mechanics, Molecular Dynamics, and Monte Carlo Simulations;Reviews in Computational Chemistry;2007-01-05
2. Appendix 1: Published Force Field Parameters;Reviews in Computational Chemistry;2007-01-05
3. Cα−H Bond-Stretching Frequency in Alcohols as a Probe of Hydrogen-Bonding Strength: A Combined Vibrational Spectroscopic and Theoretical Study of n-[1-D]Propanol;The Journal of Physical Chemistry A;2005-02-16
4. The energetically preferred orientation of the hydroxyl group in cyclohexanol Ab initio and force field calculations;Journal of Molecular Structure: THEOCHEM;1997-06
5. More on the size of molecules;Structural Chemistry;1990
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