Frozen density functional approach for ab initio calculations of solvated molecules

• 1 July 1993
• journal article
• research article
• Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
• Vol. 97  (30) , 8050-8053
• https://doi.org/10.1021/j100132a040

Abstract

Keywords

• TREATMENT
• FROZEN
• AB INITIO
• INITIO CALCULATIONS
• DENSITY FUNCTIONAL
• SOLVENT MOLECULES
• SOLVATION