1
TITLE: A DFT and QTAIM study of the adsorption of organic molecules over the copper-doped coronene and circumcoronene  Full Text
AUTHORS: Michal Malcek; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, VOLUME: 95
INDEXED IN: Scopus WOS CrossRef: 15
2
TITLE: Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study  Full Text
AUTHORS: Malcek, M; Bucinsky, L; Teixeira, F ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 23
INDEXED IN: Scopus WOS CrossRef: 10
3
TITLE: NO Releasing and Anticancer Properties of Octahedral Ruthenium-Nitrosyl Complexes with Equatorial 1H-Indazole Ligands  Full Text
AUTHORS: Ewelina Orlowska; Maria V Babak; Orsolya Domotor; Eva A Enyedy; Peter Rapta; Michal Zalibera; Luka's Bucinsky; Michal Malcek; Chinju Govind; Venugopal Karunakaran; Yusuf Chouthury Shaik Farid; Tara E McDonnell; Dominique Luneau; Dominik Schaniel; Wee Han Ang; Vladimir B Arion;
PUBLISHED: 2018, SOURCE: INORGANIC CHEMISTRY, VOLUME: 57, ISSUE: 17
INDEXED IN: Scopus WOS
4
TITLE: Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study  Full Text
AUTHORS: Voroshylova, IV ; Ferreira, ESC ; Malcek, M; Costa, R ; Pereira, CM ; Cordeiro, NDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 38