A. Muñoz-Losa

发表

Using molecular dynamics and quantum mechanics calculations to model fluorescence observables.

B. Mennucci, Amy L. Speelman, A. Muñoz-Losa, 2011, The journal of physical chemistry. A.

Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model.

J. Kongsted, G. Scholes, S. Monti, 2009, Journal of chemical theory and computation.

Excited State Pathways Leading to Formation of Adenine Dimers.

R. Improta, L. Esposito, Tiia-Maaria Ketola, 2016, The journal of physical chemistry letters.

Chapter 3 - Use of the Average Solvent Potential Approach in the Study of Solvent Effects

M. E. Martín, I. F. Galván, M. Aguilar, 2010 .

Theoretical study of the conformational equilibrium of 1,4-dioxane in gas phase, neat liquid, and dilute aqueous solutions

I. Fdez. Galván, J. Corchado, M. E. Martín, 2013, Theoretical Chemistry Accounts.

Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects.

S. Mai, L. González, A. Muñoz-Losa, 2017, Physical chemistry chemical physics : PCCP.

Accelerating QM/MM Calculations by Using the Mean Field Approximation

M. E. Martín, I. F. Galván, M. Aguilar, 2015 .

A Subsystem TDDFT Approach for Solvent Screening Effects on Excitation Energy Transfer Couplings.

C. Curutchet, B. Mennucci, A. Muñoz-Losa, 2010, Journal of chemical theory and computation.

UV-Induced Adenine Radicals Induced in DNA A-Tracts: Spectral and Dynamical Characterization.

R. Improta, Tiia-Maaria Ketola, A. Adhikary, 2016, The journal of physical chemistry letters.

Photosynthetic light-harvesting is tuned by the heterogeneous polarizable environment of the protein.

J. Kongsted, G. Scholes, C. Curutchet, 2011, Journal of the American Chemical Society.

Nonplasmonic Metal Particles as Excitation Energy Transfer Acceptors: an Unexpected Efficiency Revealed by Quantum Mechanics

B. Mennucci, S. Corni, A. Muñoz-Losa, 2009 .

Theoretical study of the absorption and emission spectra of the anionic p-coumaric methyl ester in gas phase and in solution

M. E. Martín, M. Aguilar, A. Muñoz-Losa, 2014 .

What is solvatochromism?

Benedetta Mennucci, Alberto Marini, B. Mennucci, 2010, The journal of physical chemistry. B.

Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene.

I. Fdez. Galván, J. Corchado, M. E. Martín, 2014, The journal of physical chemistry. B.

Solvent Effects on the Structure and Spectroscopy of the Emitting States of 1-Phenylpyrrole.

I. Fdez. Galván, M. E. Martín, M. Aguilar, 2011, Journal of chemical theory and computation.

Simultaneous Solvent and Counterion Effects on the Absorption Properties of a Model of the Rhodopsin Chromophore.

I. Fdez. Galván, M. E. Martín, M. Aguilar, 2013, Journal of chemical theory and computation.

Solvent Effects on the Radiative and Nonradiative Decay of a Model of the Rhodopsin Chromophore.

Manuel Calderón Sánchez, M. E. Martín, I. F. Galván, 2011, Journal of chemical theory and computation.

QM/MM Study of Substituent and Solvent Effects on the Excited State Dynamics of the Photoactive Yellow Protein Chromophore.

I. Fdez. Galván, M. E. Martín, M. Aguilar, 2017, Journal of chemical theory and computation.

Solvent effects on de-excitation channels in the p-coumaric acid methyl ester anion, an analogue of the photoactive yellow protein (PYP) chromophore.

M. Aguilar, A. Muñoz-Losa, F. F. García-Prieto, 2016, Physical chemistry chemical physics : PCCP.

Solvent Effects on the Absorption Spectra of the para-Coumaric Acid Chromophore in Its Different Protonation Forms.

M. E. Martín, I. F. Galván, M. Aguilar, 2013, Journal of chemical theory and computation.

Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling.

G. Ruggeri, B. Mennucci, A. Muñoz-Losa, 2010, Physical chemistry chemical physics : PCCP.

The optical properties of adenine cation in different oligonucleotides: a PCM/TD-DFT study

R. Improta, L. Esposito, A. Muñoz-Losa, 2018, Theoretical Chemistry Accounts.

A State-Specific PCM-DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases

R. Improta, A. Muñoz-Losa, D. Markovitsi, 2015 .

Fretting about FRET: failure of the ideal dipole approximation.

Benedetta Mennucci, Carles Curutchet, Brent P Krueger, 2009, Biophysical journal.

Dual Fluorescence of Fluorazene in Solution: A Computational Study.

I. Fdez. Galván, M. E. Martín, M. Aguilar, 2011, Journal of chemical theory and computation.

Solvatochromic Shifts on Absorption and Fluorescence Bands of N,N-Dimethylaniline.

I. Fdez. Galván, M. Aguilar, A. Muñoz-Losa, 2009, Journal of chemical theory and computation.

Quantum mechanical methods applied to excitation energy transfer: a comparative analysis on excitation energies and electronic couplings.

I. Fdez. Galván, C. Curutchet, A. Muñoz-Losa, 2008, The Journal of chemical physics.

Quantum Mechanical Approach to Solvent Effects on the Optical Properties of Metal Nanoparticles and Their Efficiency As Excitation Energy Transfer Acceptors

A. Sánchez-González, B. Mennucci, S. Corni, 2010 .

Energy flow in the cryptophyte PE545 antenna is directed by bilin pigment conformation.

J. Kongsted, G. Scholes, R. van Grondelle, 2013, The journal of physical chemistry. B.

A. Muñoz-Losa, M. Ruiz‐López, M. Martins‐Costa, 2014 .

Substituent and solvent effects on the UV-vis absorption spectrum of the photoactive yellow protein chromophore.

M. E. Martín, I. F. Galván, M. Aguilar, 2015, The journal of physical chemistry. A.

Theoretical study of the role of solvent Stark effect in electron transitions

Manuel Calderón Sánchez, I. Fdez. Galván, J. Corchado, 2011 .

What is solvatochromism?

B. Mennucci, A. Muñoz-Losa, A. Biancardi, 2010, The journal of physical chemistry. B.

Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects.

S. Mai, L. González, A. Muñoz-Losa, 2017, Physical chemistry chemical physics : PCCP.

Fretting about FRET: failure of the ideal dipole approximation.

C. Curutchet, B. Mennucci, A. Muñoz-Losa, 2009, Biophysical journal.