Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method To Compute Electronic Spectra of Flexible Molecules in the Condensed Phase
Cerezo, Javier, Aranda, Daniel, Avila Ferrer, Francisco José, Prampolini, Giacomo, Santoro, Fabrizio
Published in Journal of chemical theory and computation (11.02.2020)
Published in Journal of chemical theory and computation (11.02.2020)
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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
Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism
García-González, Francisco, Otero, Juan Carlos, Ávila Ferrer, Francisco J., Santoro, Fabrizio, Aranda, Daniel
Published in Journal of chemical theory and computation (14.05.2024)
Published in Journal of chemical theory and computation (14.05.2024)
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Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach
JOSE AVILA FERRER, Francisco, IMPROTA, Roberto, SANTORO, Fabrizio, BARONE, Vincenzo
Published in Physical chemistry chemical physics : PCCP (14.10.2011)
Published in Physical chemistry chemical physics : PCCP (14.10.2011)
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Journal Article
Absorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static Approaches
Petrone, Alessio, Cerezo, Javier, Ferrer, Francisco J. Avila, Donati, Greta, Improta, Roberto, Rega, Nadia, Santoro, Fabrizio
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
Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied Potential
Valdivia, Samuel, García-González, Francisco, Aranda, Daniel, Ávila Ferrer, Francisco J., López-Tocón, Isabel, Soto, Juan, Otero, Juan Carlos
Published in Journal of physical chemistry. C (01.08.2024)
Published in Journal of physical chemistry. C (01.08.2024)
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Journal Article
Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures
Cerezo, Javier, Zúñiga, José, Requena, Alberto, Ávila Ferrer, Francisco J, Santoro, Fabrizio
Published in Journal of chemical theory and computation (12.11.2013)
Published in Journal of chemical theory and computation (12.11.2013)
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Journal Article
Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement Mechanisms
Aranda, Daniel, García-González, Francisco, Avila Ferrer, Francisco José, López-Tocón, Isabel, Soto, Juan, Otero, Juan Carlos
Published in Journal of chemical theory and computation (08.11.2022)
Published in Journal of chemical theory and computation (08.11.2022)
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Journal Article
Quantum-Classical Calculation of the Absorption and Emission Spectral Shapes of Oligothiophenes at Low and Room Temperature by First-Principle Calculations
Improta, Roberto, Ferrer, Francisco J. Avila, Stendardo, Emiliano, Santoro, Fabrizio
Published in Chemphyschem (20.10.2014)
Published in Chemphyschem (20.10.2014)
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Journal Article
Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models
Cerezo, Javier, Avila Ferrer, Francisco J., Prampolini, Giacomo, Santoro, Fabrizio
Published in Journal of chemical theory and computation (08.12.2015)
Published in Journal of chemical theory and computation (08.12.2015)
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Journal Article
Bacterial Keratitis Preferred Practice Pattern
Lin, Amy, Rhee, Michelle K., Akpek, Esen K., Amescua, Guillermo, Farid, Marjan, Garcia-Ferrer, Francisco J., Varu, Divya M., Musch, David C., Dunn, Steven P., Mah, Francis S.
Published in Ophthalmology (Rochester, Minn.) (01.01.2019)
Published in Ophthalmology (Rochester, Minn.) (01.01.2019)
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Journal Article
Dry Eye Syndrome Preferred Practice Pattern
Akpek, Esen K., Amescua, Guillermo, Farid, Marjan, Garcia-Ferrer, Francisco J., Lin, Amy, Rhee, Michelle K., Varu, Divya M., Musch, David C., Dunn, Steven P., Mah, Francis S.
Published in Ophthalmology (Rochester, Minn.) (01.01.2019)
Published in Ophthalmology (Rochester, Minn.) (01.01.2019)
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First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening
Avila Ferrer, Francisco José, Cerezo, Javier, Soto, Juan, Improta, Roberto, Santoro, Fabrizio
Published in Computational and theoretical chemistry (15.07.2014)
Published in Computational and theoretical chemistry (15.07.2014)
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Live Microalgae-Based Diets as Enrichment to Improve the Nutritional Profile of the Calanoid Copepod Acartia tonsa (Dana, 1849) Nauplii
Martino, Andrea, Montero, Daniel, Roo, Javier, Holt, William Vincent, Lavorano, Silvia, Narizzano, Riccardo, Otero Ferrer, Francisco
Published in Aquaculture research (17.10.2023)
Published in Aquaculture research (17.10.2023)
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Journal Article
Blepharitis Preferred Practice Pattern
Amescua, Guillermo, Akpek, Esen K., Farid, Marjan, Garcia-Ferrer, Francisco J., Lin, Amy, Rhee, Michelle K., Varu, Divya M., Musch, David C., Dunn, Steven P., Mah, Francis S.
Published in Ophthalmology (Rochester, Minn.) (01.01.2019)
Published in Ophthalmology (Rochester, Minn.) (01.01.2019)
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Journal Article
Proving the Dual Electronic Structure of Charged Metal-Molecule Interfaces: Surface-Enhanced Raman Scattering of Cyanide Adsorbed on a Nanostructured Silver Electrode
Valdivia, Samuel, Aranda, Daniel, Ferrer, Francisco José Avila, Soto, Juan, López-Tocón, Isabel, Otero, Juan C
Published in Journal of physical chemistry. C (13.08.2020)
Published in Journal of physical chemistry. C (13.08.2020)
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Journal Article
Risk factors for major adverse cardiovascular events in postmenopausal women: UK Biobank prospective cohort study
Bertomeu-Gonzalez, Vicente, Cordero, Alberto, Ruiz-Nodar, Juan Miguel, Sánchez-Ferrer, Francisco, López-Pineda, Adriana, Quesada, José Antonio
Published in Atherosclerosis (01.12.2023)
Published in Atherosclerosis (01.12.2023)
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