The Energy of Interaction between Two Acetone Molecules: A Potential Function Constructed from ab Initio Data-Reference-Cited by-同舟云学术

The Energy of Interaction between Two Acetone Molecules: A Potential Function Constructed from ab Initio Data

Published:1998-03-24 Issue:15 Volume:102 Page:2594-2602
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hermida-Ramón Jose M.¹,Ríos Miguel A.¹

Affiliation:

1. Departamento de Química Física, Facultade de Química, Universidade de Santiago de Compostela, Av. das Ciencias S/N, C.P. 15706, Santiago de Compostela, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp973309m

Reference30 articles.

1. Intermolecular potential function for methanol dimer interactions from ab initio calculations

2. Intermolecular Potential Function for Hydroxylamine Dimer Interactions from ab initio Calculations

3. Computer experiments on aqueous solutions. III. Monte Carlo calculation on the hydration of tertiary butyl alcohol in an infinitely dilute aqueous solution with a new water–butanol pair potential

4. Computer experiments on aqueous solution. I. Monte Carlo calculation on the hydration of methanol in an infinitely dilute aqueous solution with a new water–methanol pair potential

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