Open AccessA comparison of the chemical bonding and reactivity of Si8H8O12 and Ge8H8O12: A theoretical study
Author(s) -
Jules Tshishimbi Muya,
Kelling J. Donald,
Arnout Ceulemans,
Carol A. Parish
Publication year - 2021
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0046059
Subject(s) - reactivity (psychology) , chemistry , ab initio , density functional theory , molecule , computational chemistry , fukui function , chemical shift , quantum chemical , jahn–teller effect , ab initio quantum chemistry methods , crystallography , ion , organic chemistry , medicine , alternative medicine , electrophile , pathology , catalysis