Geometric and electronic structure analysis of calcium water complexes with one and two solvation shells

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript DOI: 10.1039/D0CP04309E, PaperIsuru R Ariyarathna, Evangelos Miliordos Neutral and cationic calcium water complexes are studied by means of high-level quantum calculations. Both the geometric and electronic structure of these species is investigated. We study complexes with up... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - September 19, 2020 Category: Chemistry Authors: Isuru R Ariyarathna Source Type: research