Open AccessMethodology for Analysing Surface-immobilised Diradical Character and Theoretical Investigation of Surface Effects
Author(s) -
Kohei Tada,
Hiroyuki Ozaki,
Koji Fujimaru,
Yasutaka Kitagawa,
Takashi Kawakami,
Mitsutaka Okumura,
Shingo Tanaka
Publication year - 2022
Publication title -
hyomen to shinku
Language(s) - English
Resource type - Journals
eISSN - 2433-5843
pISSN - 2433-5835
DOI - 10.1380/vss.65.394
Subject(s) - diradical , character (mathematics) , density functional theory , surface (topology) , molecule , computational chemistry , plane (geometry) , limiting , chemistry , chemical physics , physics , quantum mechanics , mathematics , geometry , mechanical engineering , engineering , singlet state , excited state