Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Chemical Physics

Volumn 55, Issue 1, 1981, Pages 117-129

  Miertus S ^a   Scrocco, E ^b   Tomasi, J ^c  

^a INSTITUTE OF CHEMISTRY   (Slovakia)

^b UNIVERSITY OF PISA   (Italy)

^c CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84946893847     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(81)85090-2     Document Type: Article

References (48)

1. Synthesis and molecular structure of 1-(.pi.-cyclopentadienyl)-1-triphenylphosphine-2,3,4,5-tetrakis(pentafluorophenyl)cobaltole
2. The development of quantum mechanical solvent effect models. Microscopic electrostatic contributions
3. Ab initio Hartree-Fock calculations with inclusion of a polarized dielectric; formalism and application to the ground state hydrated electron
4. Self-consistent reaction field theory of solvent effects
5. Quantum-chemical study of radical ions and molecules incorporating the solvent effect comment on the method of incorporation of the solvent effect
6. Electronic Molecular Structure, Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular Potentials
7. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
8. Environmental effects on atomic energy levels
9. Dielectric medium effects on loosely bound electrons