Open AccessAdsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene: A DFT and CCSD(T) Investigation
Author(s) -
Uroosa Sohail,
Faizan Ullah,
Tariq Mahmood,
Shabbir Muhammad,
Khurshid Ayub
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.2c01796
Subject(s) - chemistry , molecule , density functional theory , adsorption , basis set , natural bond orbital , interaction energy , cluster (spacecraft) , molecular orbital , perturbation theory (quantum mechanics) , coupled cluster , computational chemistry , atoms in molecules , dispersion (optics) , chemical physics , organic chemistry , quantum mechanics , physics , computer science , programming language
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