Theoretical investigation of the cooperative effect of solvent: a case study

Phys. Chem. Chem. Phys., 2022, Accepted Manuscript DOI: 10.1039/D1CP05388D, PaperCaio Moraes Porto, Lucas Chuman Santana, Nelson Henrique Morgon The effect of solvent was investigated at the DFT level, M06-2X/6-31++G(d,p), for the implicit, namely the universal solvent model based on solute electron density (SMD), and hybrid solvation models, and... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - May 19, 2022 Category: Chemistry Authors: Caio Moraes Porto Source Type: research