ARTICLE
|
doi:10.20944/preprints202304.0854.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
TAO-DFT; Polarizable Continuum Model; multi-reference character
Online: 24 April 2023 (10:59:26 CEST)
REVIEW
|
doi:10.20944/preprints202401.0704.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
green solvents; implicit solvation models; explicit solvation models; hybrid solvation models; solute-solvent interactions; polarizable continuum model; water molecules in biomolecules’ interactions
Online: 9 January 2024 (07:36:41 CET)