Open AccessAccelerated Quantum Simulations of Polymer Aging and Degradation
Author(s) -
Nir Goldman,
M P Kroonblawd
Publication year - 2019
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/1544969
Subject(s) - homo/lumo , atomic orbital , excited state , chemistry , molecular orbital , band gap , chemical physics , materials science , electronic structure , molecular geometry , crystallography , photochemistry , computational chemistry , molecular physics , atomic physics , physics , molecule , organic chemistry , optoelectronics , quantum mechanics , electron
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