Acidity of Organic Molecules in the Gas Phase and in Aqueous Solvent-Reference-Cited by-同舟云学术

Acidity of Organic Molecules in the Gas Phase and in Aqueous Solvent

Published:2000-10-01 Issue:42 Volume:104 Page:9619-9624
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Topol Igor A.¹,Tawa Gregory J.¹,Caldwell Richard A.¹,Eissenstat Michael A.¹,Burt Stanley K.¹

Affiliation:

1. Advanced Biomedical Computing Center and Structural Biochemistry Program, SAIC Frederick, NCI Frederick Cancer Research and Development Center, P.O. Box B, Frederick, Maryland 21702-1201, and Department of Chemistry, The University of Texas at Dallas, P.O. Box 830688, Richardson, Texas 75083-0688

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp001938h

Reference60 articles.

1. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

2. Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities

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