BORA, Pankaj Lochan and Radek MAREK. MX2...YX2 bonding: A case study. In Modern Methods in Quantum Chemistry Workshop, Mariapfarr, Austria. 2015.
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Basic information
Original name MX2...YX2 bonding: A case study
Name in Czech Vazba MX2...YX2: Případová studie
Authors BORA, Pankaj Lochan (356 India, belonging to the institution) and Radek MAREK (203 Czech Republic, guarantor, belonging to the institution).
Edition Modern Methods in Quantum Chemistry Workshop, Mariapfarr, Austria, 2015.
Other information
Original language English
Type of outcome Presentations at conferences
Field of Study 10403 Physical chemistry
Country of publisher Austria
Confidentiality degree is not subject to a state or trade secret
RIV identification code RIV/00216224:14310/15:00087726
Organization unit Faculty of Science
Keywords (in Czech) Chalkogenové vazby
Keywords in English Chalcogen bonding; DFT; Energy-decomposition analysis
Changed by Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 7/5/2016 12:57.
Abstract
Non-covalent interactions (chalcogen bonding) were studied using density functional theory and energy decomposition analysis.
Links
GA14-14654S, research and development projectName: Studium fyzikální podstaty interakcí lone-pair-pi v biomolekulárních systémech. Role interakcí lone-pair-pi při stabilizaci proteinu Engrailed (Acronym: Lone-pair-pi interactions)
Investor: Czech Science Foundation
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