H2 and CO adsorption ability of cationic lithiated carbenes: A computational study
SK Purkayastha, AK Guha - International journal of hydrogen energy, 2022 - Elsevier
Quantum chemical calculations have been carried out to investigate the hydrogen and
carbon monoxide adsorption characteristics of cationic lithiated carbene complexes …
carbon monoxide adsorption characteristics of cationic lithiated carbene complexes …
Crosslinked polyethyleneimine‐based structures in different morphologies as promising CO2 adsorption systems: A comprehensive study
Although there are many studies on CO2 adsorption via PEI‐modified carbon particles,
metal–organic frameworks, zeolitic imidazolate frameworks, and silica‐based porous …
metal–organic frameworks, zeolitic imidazolate frameworks, and silica‐based porous …
An in silico study of the selective adsorption and separation of CO 2 from a flue gas mixture (CH 4, CO 2, N 2) by ZnLi 5+ clusters
Due to the increasing concentration of CO2 in the atmosphere and its negative effect on the
environment, selective adsorption of CO2 from flue gas has become significantly important …
environment, selective adsorption of CO2 from flue gas has become significantly important …
Metal ion-decorated hexasilaprismane and its derivative as a molecular container for the separation of CO 2 from flue gas molecules: a computational study
PD Wakchaure, B Ganguly - Dalton Transactions, 2023 - pubs.rsc.org
The electronic structure of hexasilaprismane (HSP) was examined with different
computational techniques to elucidate the bonding features and the electrostatic surface …
computational techniques to elucidate the bonding features and the electrostatic surface …
Ab initio study of metal-decorated carbon and silicon prismanes as the selective CO2 adsorbents
In this paper, we conducted comprehensive analysis of the selective adsorption of CO2 by
carbon and silicon prismanes along with metal ions. The results of calculations from …
carbon and silicon prismanes along with metal ions. The results of calculations from …
[引用][C] ВЛИЯНИЕ ДЕФЕКТОВ И РАДИКАЛОВ НА ЭЛЕКТРОННЫЕ, ОПТИЧЕСКИЕ И АДСОРБЦИОННЫЕ СВОЙСТВА МАЛЫХ УГЛЕРОДНЫХ КЛАСТЕРОВ
КП Катин