Quantum-chemical study of radical ions and molecules incorporating the solvent effect comment on the method of incorporation of the solvent effect
- 15 August 1979
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 65 (2) , 395-398
- https://doi.org/10.1016/0009-2614(79)87089-x
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- On the theory of solvent effectsTheoretical Chemistry Accounts, 1978
- Quantum-chemical study of radical ions and molecules incorporating solvent effect.: III. Calculation of electronic spectra of conjugated radical anions in CNDO and INDO approximations by Longuet-Higgins—Pople and Roothaan restricted methodsChemical Physics, 1977
- Quantum-chemical study of radical ions and molecules incorporating solvent effect.: II. Calculation of electronic transitions and spin densities of various conjugated radical anions in π-approximationChemical Physics, 1977
- Quantum-Chemical study of radical ions and molecules incorporating solvent effect.Chemical Physics, 1977
- Ab initio calculations including solvent effects of the structure of pyrazine, 4-nitropyridine and dicyanobenzenes ion pairsTheoretical Chemistry Accounts, 1975
- Solvent interaction within the Hartree-Fock SCF molecular orbital formalismTheoretical Chemistry Accounts, 1974
- Solvent interaction within the Hartree-Fock SCF molecular orbital formalismTheoretical Chemistry Accounts, 1974
- Solvations: a semi-empirical procedure for including solvation in quantum mechanical calculations of large moleculesChemical Physics Letters, 1967
- Enthalpy of hydration of the protonTransactions of the Faraday Society, 1963