UNIQUAC interaction parameters for alkane/amine systems determined by Molecular Mechanics-Reference-Cited by-同舟云学术

UNIQUAC interaction parameters for alkane/amine systems determined by Molecular Mechanics

Published:1996-02 Issue:1-2 Volume:115 Page:59-72
ISSN:0378-3812
Container-title:Fluid Phase Equilibria
language:en
Short-container-title:Fluid Phase Equilibria

Author:

Jónsdóttir Svava Ósk,Klein Roger A.,Rasmussen Kjeld

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,General Chemical Engineering

Reference18 articles.

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2. CHARMM: A Program for Macromolecular Energy, Minimization and Dynamic Calculations;Brooks;J. Comp. Chem.,1983

3. The consistent force field. 1. Methods and strategies for optimization of empirical potential energy functions;Engelsen;Acta Chem. Scand. A,1994

4. The consistent force field. 2. An optimized set of potential energy functions for the alkanes;Engelsen;Acta Chem. Scand. A,1994

5. The consistent force field. 4. An optimized set of potential energy functions for aliphatic and alicyclic ethers and anomeric carbon atoms;Fabricius;New J. Chem.,1995

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