E-LIB Suche - Ergebnisse für: Ávila Ferrer, Francisco J.

1

Linear Vibronic Coupling Approach for Surface-Enhanced Rama..:

García-González, Francisco ; Otero, Juan Carlos ; Ávila Ferrer, Francisco J...
Journal of Chemical Theory and Computation. 20 (2024) 9 - p. 3850-3863 , 2024

Link: https://doi.org/10.1021/..

2

Remembering the Old Propensity Rules of the Electromagnetic..:

Valdivia, Samuel ; García-González, Francisco ; Aranda, Daniel...
The Journal of Physical Chemistry C. , 2024

Link: https://doi.org/10.1021/..

3

Origin of Chiroptic Amplification in Perylene-Diimide Helic..:

Aranda, Daniel ; Schuster, Nathaniel J. ; Xiao, Xiao...
The Journal of Physical Chemistry C. 125 (2021) 4 - p. 2554-2564 , 2021

Link: https://doi.org/10.1021/..

4

A computational study of the vibrationally-resolved electro..:

Aranda, Daniel ; Cerezo, Javier ; Pescitelli, Gennaro...
Physical Chemistry Chemical Physics. 20 (2018) 34 - p. 21864-21880 , 2018

Link: https://doi.org/10.1039/..

5

Toward a general mixed quantum/classical method for the cal..:

Cerezo, Javier ; Aranda, Daniel ; Avila Ferrer, Francisco J....
Chirality. 30 (2018) 6 - p. 730-743 , 2018

Link: https://doi.org/10.1002/..

6

The absorption and emission spectra in solution of oligothi..:

Stendardo, Emiliano ; Avila Ferrer, Francisco ; Santoro, Fabrizio.
Theoretical Chemistry Accounts. 135 (2016) 6 - p. , 2016

Link: https://doi.org/10.1007/..

7

Disentangling vibronic and solvent broadening effects in th..:

Cerezo, Javier ; Avila Ferrer, Francisco J. ; Santoro, Fabrizio
Physical Chemistry Chemical Physics. 17 (2015) 17 - p. 11401-11411 , 2015

Link: https://doi.org/10.1039/..

8

Modeling Solvent Broadening on the Vibronic Spectra of a Se..:

Cerezo, Javier ; Avila Ferrer, Francisco J. ; Prampolini, Giacomo.
Journal of Chemical Theory and Computation. 11 (2015) 12 - p. 5810-5825 , 2015

Link: https://doi.org/10.1021/..

9

Erratum: Harmonic Models in Cartesian and Internal Coordina..:

Cerezo, Javier ; Zúñiga, José ; Requena, Alberto..
Journal of Chemical Theory and Computation. 10 (2014) 8 - p. 3586-3587 , 2014

Link: https://doi.org/10.1021/..

10

The Lineshape of the Electronic Spectrum of the Green Fluor..:

Avila Ferrer, Francisco J. ; Davari, Mehdi D. ; Morozov, Dmitry..
ChemPhysChem. 15 (2014) 15 - p. 3246-3257 , 2014

Link: https://doi.org/10.1002/..

11

The excited state behavior of cytosine in the gas phase: A ..:

Avila Ferrer, Francisco J. ; Santoro, Fabrizio ; Improta, Roberto
Computational and Theoretical Chemistry. 1040-1041 (2014) - p. 186-194 , 2014

Link: https://doi.org/10.1016/..

12

Duschinsky, Herzberg–Teller, and Multiple Electronic Resona..:

Avila Ferrer, Francisco J. ; Barone, Vincenzo ; Cappelli, Chiara.
Journal of Chemical Theory and Computation. 9 (2013) 8 - p. 3597-3611 , 2013

Link: https://doi.org/10.1021/..

13

Harmonic Models in Cartesian and Internal Coordinates to Si..:

Cerezo, Javier ; Zúñiga, José ; Requena, Alberto..
Journal of Chemical Theory and Computation. 9 (2013) 11 - p. 4947-4958 , 2013

Link: https://doi.org/10.1021/..

14

Insights for an Accurate Comparison of Computational Data t..:

Avila Ferrer, Francisco J. ; Cerezo, Javier ; Stendardo, Emiliano..
Journal of Chemical Theory and Computation. 9 (2013) 4 - p. 2072-2082 , 2013

Link: https://doi.org/10.1021/..

15

Computational Model for Electrochemical Surface-Enhanced Ra..:

Aranda, Daniel ; García-González, Francisco ; Avila Ferrer, Francisco José...
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6802-6815 , 2022

Link: https://doi.org/10.1021/..