Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study
Santoro, Fabrizio, Lami, Alessandro, Improta, Roberto, Bloino, Julien, Barone, Vincenzo
Published in The Journal of chemical physics (14.06.2008)
Published in The Journal of chemical physics (14.06.2008)
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Journal Article
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution
Santoro, Fabrizio, Lami, Alessandro, Improta, Roberto, Barone, Vincenzo
Published in The Journal of chemical physics (14.05.2007)
Published in The Journal of chemical physics (14.05.2007)
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Journal Article
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
Improta, Roberto, Barone, Vincenzo, Scalmani, Giovanni, Frisch, Michael J
Published in The Journal of chemical physics (07.08.2006)
Published in The Journal of chemical physics (07.08.2006)
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Journal Article
DNA/RNA: Building Blocks of Life Under UV Irradiation
Gustavsson, Thomas, Improta, Roberto, Markovitsi, Dimitra
Published in The journal of physical chemistry letters (01.07.2010)
Published in The journal of physical chemistry letters (01.07.2010)
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Journal Article
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Improta, Roberto, Scalmani, Giovanni, Frisch, Michael J, Barone, Vincenzo
Published in The Journal of chemical physics (21.08.2007)
Published in The Journal of chemical physics (21.08.2007)
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Journal Article
Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation
Avila Ferrer, Francisco J, Cerezo, Javier, Stendardo, Emiliano, Improta, Roberto, Santoro, Fabrizio
Published in Journal of chemical theory and computation (09.04.2013)
Published in Journal of chemical theory and computation (09.04.2013)
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Journal Article
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings
Xu, Qiushuang, Liu, Yanli, Wang, Meishan, Cerezo, Javier, Improta, Roberto, Santoro, Fabrizio
Published in Molecules (Basel, Switzerland) (01.03.2023)
Published in Molecules (Basel, Switzerland) (01.03.2023)
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Journal Article
Electronic Excited States Responsible for Dimer Formation upon UV Absorption Directly by Thymine Strands: Joint Experimental and Theoretical Study
Banyasz, Akos, Douki, Thierry, Improta, Roberto, Gustavsson, Thomas, Onidas, Delphine, Vayá, Ignacio, Perron, Marion, Markovitsi, Dimitra
Published in Journal of the American Chemical Society (12.09.2012)
Published in Journal of the American Chemical Society (12.09.2012)
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Mode-specific vibrational relaxation of photoexcited guanosine 5'-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical study
Zhang, Yuyuan, Improta, Roberto, Kohler, Bern
Published in Physical chemistry chemical physics : PCCP (28.01.2014)
Published in Physical chemistry chemical physics : PCCP (28.01.2014)
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