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The Journal of Physical Chemistry. A|April 24, 2020
Density Functional Theory Investigation of the Binding of ThioTEPA to Purine Bases: Thermodynamics and Bond Evolution Theory AnalysisEmna Cherni, Abel Idrice Adjieufack, Benoît Champagne, et al.
The Journal of Chemical Physics|November 7, 2023
First hyperpolarizability of the di-8-ANEPPS and DR1 nonlinear optical chromophores in solution. An experimental and multi-scale theoretical chemistry studyCharlotte Bouquiaux, Pierre Beaujean, Tárcius N Ramos, et al.
Accounts of Chemical Research|July 20, 2013
Design and characterization of molecular nonlinear optical switchesFrédéric Castet, Vincent Rodriguez, Jean-Luc Pozzo, et al.
The Journal of Physical Chemistry. A|August 25, 2018
Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET)Abel Idrice Adjieufack, Vincent Liégeois, Ibrahim Ndassa Mboumbouo, et al.
Physical Chemistry Chemical Physics : PCCP|July 7, 2011
Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: relationships with their aromaticity/antiaromaticityShuto Motomura, Masayoshi Nakano, Hitoshi Fukui, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 5, 2013
Vibrational sum-frequency generation activity of a 2,4-dinitrophenyl phospholipid hybrid bilayer: retrieving orientational parameters from a DFT analysis of experimental dataDan Lis, Julien Guthmuller, Benoît Champagne, et al.
Physical Chemistry Chemical Physics : PCCP|July 14, 2020
Finding the optimal exchange-correlation functional to describe the excited state properties of push-pull organic dyes designed for thermally activated delayed fluorescenceTom Cardeynaels, Simon Paredis, Jasper Deckers, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2023
Second-order nonlinear optical properties of X-shaped pyrazine derivativesVerònica Postils, Zuzana Burešová, David Casanova, et al.
The Journal of Physical Chemistry. A|May 10, 2013
Challenging compounds for calculating hyperpolarizabilities: p-quinodimethane derivativesMarc de Wergifosse, Frédéric Wautelet, Benoît Champagne, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Acido- and phototriggered NLO properties enhancementLionel Sanguinet, Jean-Luc Pozzo, Vincent Rodriguez, et al.
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