Investigation of water substitution at RuII complexes by conceptual density function theory approach. - Dusan Cocic; Biljana Petrovic; Ralph Puchta; Marta Chrzanowska; Anna Katafias; Rudi van Eldik (J. Comput. Chem., 2022)

Investigation of the complete encapsulation process of the noble gases by cryptophanes. - Dusan Cocic; Liu Yang; Ralph Puchta; Tiesheng Shi; Rudi van Eldik (J. Comput. Chem., 2025)