List of works - Ricard Gelabert

A Potential Energy Function for Heterogeneous Proton-Wires. Ground and Photoactive States of the Proton-Wire in the Green Fluorescent Protein

scientific article published in July 2008

A comparative study on the photochemistry of two bipyridyl derivatives: [2,2'-bipyridyl]-3,3'-diamine and [2,2'-bipyridyl]-3,3'-diol

scientific article published on 01 June 2007

A high-throughput computational approach to UV-Vis spectra in protein mutants

scientific article published on 11 September 2019

A method to compute probability current in generic coordinates ⬇️

scientific article published on February 21, 2011

A theoretical assessment of factors causing different molecular volumes in isotopologues

scientific article published in December 2009

A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms.

scientific article published in December 2013

Are there really low-barrier hydrogen bonds in proteins? The case of photoactive yellow protein

scientific article published on 19 February 2014

Bipyridyl derivatives as photomemory devices: a comparative electronic-structure study

scientific article published in June 2010

Charge-transfer pipi* excited state in the 7-azaindole dimer. A hybrid configuration interactions singles/time-dependent density functional theory description

scientific article published in January 2006

Chromophore interactions leading to different absorption spectra in mNeptune1 and mCardinal red fluorescent proteins

scientific article published on 13 June 2016

Deciphering the grounds of the suitability of acylhydrazones as efficient photoswitches

scientific article published on 10 July 2019

Determination of the temperature dependence of the H-D spin-spin coupling constant and the isotope effect on the proton chemical shift for the compressed dihydride complex [CpIr(P-P)H2]2+

scientific article published on 01 April 2005

Electronic and quantum dynamical insight into the ultrafast proton transfer of 1-hydroxy-2-acetonaphthone

scientific article published on 01 August 2007

Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline.

scientific article

Elongated dihydrogen versus compressed dihydride complexes: the temperature dependence of the H-D spin-spin coupling constant as a criterion to distinguish between them

scientific article published on 01 October 2005

Exploring the effects of intramolecular vibrational energy redistribution on the operation of the proton wire in green fluorescent protein

scientific article published on 30 September 2008

How Does the Environment Affect the Absorption Spectrum of the Fluorescent Protein mKeima?

scientific article published on 20 February 2013

Modulating the photochemistry of bipyridylic compounds by symmetric substitutions

scientific article published on December 2010

Molecular modelling of the pH influence in the geometry and the absorbance spectrum of near-infrared TagRFP675 fluorescent protein.

scientific article

New insights into the structure-spectrum relationship in S65T/H148D and E222Q/H148D green fluorescent protein mutants: a theoretical assessment.

scientific article published in December 2014

Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation

scientific article published on 9 April 2008

Peek at the potential energy surfaces of the LSSmKate1 and LSSmKate2 proteins

scientific article published on 30 November 2012

Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies

scientific article published on 14 July 2011

Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations

scientific article published in March 2006

Quantum dynamics study of the excited-state double-proton transfer in 2,2'-bipyridyl-3,3'-diol

scientific article published in September 2004

Study of the photochemical properties and conical intersections of [2,2'-bipyridyl]-3-amine-3'-ol.

scientific article published in October 2008

Synthesis and properties of compressed dihydride complexes of iridium: theoretical and spectroscopic investigations

scientific article published in July 2004

The Quest for Photoswitches Activated by Near-Infrared Light: A Theoretical Study of the Photochemistry of BF2 -Coordinated Azo Derivatives.

scientific article published on 21 June 2016

Theoretical Computer-Aided Mutagenic Study on the Triple Green Fluorescent Protein Mutant S65T/H148D/Y145F.

scientific article published on 27 April 2015

Theoretical study on the excited-state intramolecular proton transfer in the aromatic schiff base salicylidene methylamine: an electronic structure and quantum dynamical approach.

scientific article published in April 2006

Transient low-barrier hydrogen bond in the photoactive state of green fluorescent protein.

scientific article published on 8 May 2015

Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent protein.

scientific article published on 5 April 2018

Unveiling how an archetypal fluorescent protein operates: theoretical perspective on the ultrafast excited state dynamics of GFP variant S65T/H148D.

scientific article published on 7 September 2014

List of works by Ricard Gelabert