Explicit versus Implicit Solvation Effects on the First Hyperpolarizability of an Organic Biphotochrome
Quertinmont, Jean, Champagne, Benoît, Castet, Frédéric, Hidalgo Cardenuto, Marcelo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.05.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.05.2015)
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Journal Article
Unraveling the Impact of Flexibility and Solvent Effects on the UV–Vis Absorption Spectrum of Subphthalocyanine in Liquid Chloroform within the Born–Oppenheimer Molecular Dynamics Approach
Franco, Leandro Rezende, Cardenuto, Marcelo Hidalgo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.09.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.09.2023)
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Journal Article
The first hyperpolarizability of nitrobenzene in benzene solutions: investigation of the effects of electron correlation within the sequential QM/MM approach
Hidalgo Cardenuto, Marcelo, Champagne, Benoît
Published in Physical chemistry chemical physics : PCCP (28.09.2015)
Published in Physical chemistry chemical physics : PCCP (28.09.2015)
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Journal Article
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
Cardenuto, Marcelo Hidalgo, Cezar, Henrique M., Mikkelsen, Kurt V., Sauer, Stephan P.A., Coutinho, Kaline, Canuto, Sylvio
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.04.2021)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.04.2021)
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Journal Article
Investigating the first hyperpolarizability of liquid carbon tetrachloride
Cardenuto, Marcelo Hidalgo, Castet, Frédéric, Champagne, Benoît
Published in RSC advances (01.01.2016)
Published in RSC advances (01.01.2016)
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Journal Article