Solvations: a semi-empirical procedure for including solvation in quantum mechanical calculations of large molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference11 articles.
1. Ground States of Conjugated Molecules. I. Semiempirical SCF MO Treatment and Its Application to Aromatic Hydrocarbons
2. Approximate Self‐Consistent Molecular Orbital Theory. I. Invariant Procedures
3. Molecular SCF Calculations on CH4, C2H2, C2H4, C2H6, BH3, B2H6, NH3, and HCN
4. A Semiempirical Treatment of molecular Structures. II. Molecular Terms and Application to diatomic Molecules
5. Ground States of Conjugated Molecules. IV. Estimation of Chemical Reactivity1
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