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Results of TDDFT calculations at B3PW91/6-311++G (d, p) level of theory for the electron transitions of DMB systems.

By Altaf Hussain Pandith (625477) and Nasarul Islam (625476)

Abstract

<p>Results of TDDFT calculations at B3PW91/6-311++G (d, p) level of theory for the electron transitions of DMB systems.</p

Topics: Uncategorised, electron transport character, LUMO energies, Nonlinear Optical Properties, substituent, mesityl rings act, aryldimesityl borane derivatives, DMB derivatives, hyperpolarizability, density functional theory, Substituted Aryldimesityl Boranes, dft, 3PW, tddft
Year: 2014
DOI identifier: 10.1371/journal.pone.0114125.t004
OAI identifier: oai:figshare.com:article/1262893
Provided by: FigShare
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