Open AccessWhy is the Energy of the Singly Occupied Orbital in Some Radicals below the Highest Occupied Orbital Energy?
Author(s) -
Laura Abella,
Jeanne Crassous,
Ludovic Favereau,
Jochen Autschbach
Publication year - 2021
Publication title -
chemistry of materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.741
H-Index - 375
eISSN - 1520-5002
pISSN - 0897-4756
DOI - 10.1021/acs.chemmater.1c00683
Subject(s) - molecular orbital , radical , atomic orbital , chemistry , open shell , computational chemistry , chemical physics , non bonding orbital , atomic physics , physics , molecule , electron , quantum mechanics , organic chemistry
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom