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Physical Chemistry Chemical Physics : PCCP|February 9, 2007
Theoretical investigation of the EPR hyperfine coupling constants in amino derivativesAgnieszka Rogowska, Sébastien Kuhl, Raphaël Schneider, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 25, 2021
Heavy-Atom-Free Bay-Substituted Perylene Diimide Donor-Acceptor PhotosensitizersJasper Deckers, Tom Cardeynaels, Laurence Lutsen, et al.
RSC Advances|April 15, 2022
Topological investigation of the reaction mechanism of glycerol carbonate decomposition by bond evolution theoryAbel Idrice Adjieufack, Vincent Liégeois, Ibrahim Mbouombouo Ndassa, et al.
Molecules (Basel, Switzerland)|May 14, 2022
Multi-State Second-Order Nonlinear Optical Switches Incorporating One to Three Benzazolo-Oxazolidine Units: A Quantum Chemistry InvestigationPierre Beaujean, Lionel Sanguinet, Vincent Rodriguez, et al.
The Journal of Physical Chemistry. A|September 14, 2017
Electronic Band Structure of Helical PolyisocyanidesBenoît Champagne, Vincent Liégeois, Joseph G Fripiat, et al.
The Journal of Physical Chemistry. A|August 13, 2010
Nonlinear optical properties of flavylium salts: a quantum chemical studyElena Bogdan, Léa Rougier, Laurent Ducasse, et al.
The Journal of Physical Chemistry. B|October 21, 2009
Investigation of the resonance Raman spectra and excitation profiles of a monometallic ruthenium(II) [Ru(bpy)2(HAT)]2+ complex by time-dependent density functional theoryJulien Guthmuller, Benoît Champagne, Cécile Moucheron, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 26, 2021
Rational Development of a Metal-Free Bifunctional System for the C-H Activation of Methane: A Density Functional Theory InvestigationDamien Mahaut, Aurélien Chardon, Loïc Mineur, et al.
The Journal of Physical Chemistry. A|September 11, 2007
Ab initio investigation on the second-order nonlinear optical responses in keto-enol equilibria of salicylideneanilinesMaxime Guillaume, Benoît Champagne, Nadezhda Markova, et al.
The Journal of Physical Chemistry. A|May 17, 2018
Predicting Keto-Enol Equilibrium from Combining UV/Visible Absorption Spectroscopy with Quantum Chemical Calculations of Vibronic Structures for Many Excited States. A Case Study on SalicylideneanilinesFreddy Zutterman, Orian Louant, Gabriel Mercier, et al.
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