6533b81ffe1ef96bd1277dd2

RESEARCH PRODUCT

Properties and Reactivity of Hydroxides of Group 13 Elements In, Tl, and Nh from Molecular and Periodic DFT Calculations

Valeria PershinaMiroslav IliašMiroslav Iliaš

subject

Inorganic ChemistryAdsorptionBoron group010405 organic chemistryChemistryPhysical chemistryReactivity (chemistry)Physical and Theoretical Chemistry010402 general chemistry01 natural sciences0104 chemical sciences

description

Adsorption energies, Eads, of gaseous hydroxides of In, Tl, and the superheavy element Nh on surfaces of Teflon and gold are predicted using molecular and periodic relativistic DFT calculations. Th...

https://doi.org/10.1021/acs.inorgchem.9b00949