Open AccessUnderstanding the effect of thionation on naphthalene diimide using first-principles predictions of near-edge x-ray absorption fine structure spectra
Author(s) -
Kira Rundel,
Yufeng Liang,
Adam Welford,
David Prendergast,
Christopher R. McNeill
Publication year - 2019
Publication title -
the 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 - 10.1063/1.5084754
Subject(s) - homo/lumo , chemistry , xanes , molecule , density functional theory , photochemistry , excited state , crystallography , spectral line , computational chemistry , atomic physics , organic chemistry , physics , astronomy
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