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Keywords = Substituent effect
Number of Articles: 2
Computational Investigation of β-hydrogen Elimination in the (C2X5)2B(C2H5); X=H, F, Cl, Br Molecules
Volume 4, Issue 1 , January and February 2020, , Pages 80-91
Abstract
In this paper, the DFT methods were applied at the M06-2X/6–311++G(d,p) levels of theory to investigate the β-hydrogen elimination in the (C2X5)2B(C2H5); X=H, F, Cl, Br. ... Read MoreTheoretical Study of First Singlet Excited State of Para-Substituted Platinabenzene Complexes
Volume 3, Issue 6 , November and December 2019, , Pages 688-703