Quantum chemical methods for predicting and interpreting second-order nonlinear optical properties: From small to extended π-conjugated molecules
B Champagne, P Beaujean, M De Wergifosse… - Frontiers of Quantum …, 2018 - Springer
This chapter addresses the methodological and computational aspects related to the
prediction of molecular second-order nonlinear optical properties, ie, the first …
prediction of molecular second-order nonlinear optical properties, ie, the first …
On the Performance of Hybrid Functionals for Non‐linear Optical Properties and Electronic Excitations in Chiral Molecular Crystals: The Case of Butterfly‐Shaped …
Purely organic chiral molecular assemblies in the solid state hold great potential for non‐
linear optical applications. Herein, a newly synthesised molecular system is reported …
linear optical applications. Herein, a newly synthesised molecular system is reported …
Ion–π interaction in impacting the nonlinear optical properties of ion–buckybowl complexes
H Chen, WY Wang, L Wang, CL Zhu, XY Fang… - Journal of Molecular …, 2016 - Elsevier
Ion–buckybowl complexes have received considerable attention in modern chemical
research due to its fundamental and practical importance. Herein, we performed density …
research due to its fundamental and practical importance. Herein, we performed density …