{"id":120,"date":"2023-02-28T22:34:24","date_gmt":"2023-02-28T20:34:24","guid":{"rendered":"https:\/\/webs.uab.cat\/dmrqb\/?page_id=120"},"modified":"2026-10-13T11:28:38","modified_gmt":"2026-10-13T09:28:38","slug":"ricard-gelabert-peiri","status":"publish","type":"page","link":"https:\/\/webs.uab.cat\/molbiomed\/ricard-gelabert-peiri\/","title":{"rendered":"Ricard Gelabert Peiri"},"content":{"rendered":"\n
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Professor agregat<\/p>\n\n\n\n

\"ORCID\"<\/a>    \"ResearchGate\"<\/a><\/p>\n<\/div>\n\n\n\n

Ricard Gelabert Peiri<\/strong> va graduar-se en Ci\u00e8ncies Qu\u00edmiques el 1992 i va ser Doctor en Qu\u00edmica el 1999 per la Universitat Aut\u00f2noma de Barcelona. Va completar la seva fase postdoctoral amb el grup del Dr. William H. Miller al Pitzer Center for Theoretical Chemistry, a la Universitat de Calif\u00f2rnia a Berkeley (EUA) entre 1999 i 2002. Durant aquest per\u00edode, va contribuir al desenvolupament de la teoria qu\u00e0ntica i semicl\u00e0ssica de la din\u00e0mica qu\u00edmica.<\/p>\n\n\n\n

Despr\u00e9s de ser investigador Ram\u00f3n y Cajal de 2003 a 2005 i va ser nomenat Professor Agregat al Departament de Qu\u00edmica de la Universitat Aut\u00f2noma de Barcelona el 2006. Amb m\u00e9s de 58 articles cient\u00edfics publicats i supervisant 3 tesis doctorals, ha jugat un paper destacat en l’avan\u00e7 de la comprensi\u00f3 dels efectes qu\u00e0ntics en sistemes qu\u00edmics, especialment en la naturalesa i propietats dels complexes de metalls de transici\u00f3 amb dihidrogen elongats.<\/p>\n\n\n\n

En els seus treballs postdoctorals, va contribuir al desenvolupament de la teoria semicl\u00e0ssica de la din\u00e0mica qu\u00edmica i va centrar-se en la reactivitat en estats excitats electr\u00f2nicament. Ha estat pioner en l’estudi de prote\u00efnes fluorescents i commutadors moleculars activats per la llum, amb un enfocament particular en l’aplicaci\u00f3 d’aquests processos en teixit viu.<\/p>\n\n\n\n

La seva recerca recent s’ha centrat en els fotointerruptors moleculars basats en l’azobenz\u00e8, investigant les seves possibilitats d’aplicaci\u00f3 en ter\u00e0pies fotoactives i en el control de respostes biol\u00f2giques mitjan\u00e7ant la llum. A trav\u00e9s de la seva feina, ha col\u00b7laborat amb destacats investigadors i institucions a nivell internacional, ampliant el coneixement en \u00e0rees clau de la qu\u00edmica te\u00f2rica i aplicada.<\/p>\n<\/div>\n<\/div>\n<\/div><\/div>\n\n\n\n

\u00daltimes publicacions<\/h2>\n\n\n\n
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ACS Omega 2024, 9, 41968-41977<\/p>\n<\/div>\n\n\n\n

Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies<\/h3>\n\n\n\n
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Llegeix l’article \u2192<\/a><\/div>\n<\/div>\n<\/div>\n\n\n\n
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Angewandte Chemie 2023, 135, e202311181<\/p>\n<\/div>\n\n\n\n

Three\u2010Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo<\/h3>\n\n\n\n
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Llegeix l’article \u2192<\/a><\/div>\n<\/div>\n<\/div>\n\n\n\n
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IJMS 2022, 24, 25<\/p>\n<\/div>\n\n\n\n

Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches<\/h3>\n\n\n\n
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Llegeix l’article \u2192<\/a><\/div>\n<\/div>\n<\/div>\n<\/div>\n\n\n\n

Totes les publicacions 60 articles<\/span><\/h2>\n\n\n\n

Veure totes les publicacions del grup \u2192<\/a><\/p>\n\n\n\n

2024<\/h3>\n\n\n\n

Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies<\/a> \u2014 ACS Omega 2024, 9, 41968-41977<\/em><\/p>\n\n\n\n

2023<\/h3>\n\n\n\n

Three-Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo<\/a> \u2014 Angew. Chem. Int. Ed. 2023, 62, e202311181<\/em><\/p>\n\n\n\n

Three\u2010Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo<\/a> \u2014 Angewandte Chemie 2023, 135, e202311181<\/em><\/p>\n\n\n\n

2022<\/h3>\n\n\n\n

Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches<\/a> \u2014 IJMS 2022, 24, 25<\/em><\/p>\n\n\n\n

On the Computational Design of Azobenzene-Based Multi-State Photoswitches<\/a> \u2014 IJMS 2022, 23, 8690<\/em><\/p>\n\n\n\n

2019<\/h3>\n\n\n\n

Rationally designed azobenzene photoswitches for efficient two-photon neuronal excitation<\/a> \u2014 Nat Commun 2019, 10, 907<\/em><\/p>\n\n\n\n

Deciphering the grounds of the suitability of acylhydrazones as efficient photoswitches<\/a> \u2014 Phys. Chem. Chem. Phys. 2019, 21, 16075-16082<\/em><\/p>\n\n\n\n

A high-throughput computational approach to UV-Vis spectra in protein mutants<\/a> \u2014 Phys. Chem. Chem. Phys. 2019, 21, 20678-20692<\/em><\/p>\n\n\n\n

2018<\/h3>\n\n\n\n

Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent protein<\/a> \u2014 Phys. Chem. Chem. Phys. 2018, 20, 11067-11080<\/em><\/p>\n\n\n\n

2016<\/h3>\n\n\n\n

Chromophore interactions leading to different absorption spectra in mNeptune1 and mCardinal red fluorescent proteins<\/a> \u2014 Phys. Chem. Chem. Phys. 2016, 18, 16964-16976<\/em><\/p>\n\n\n\n

The Quest for Photoswitches Activated by Near-Infrared Light: A Theoretical Study of the Photochemistry of BF2-Coordinated Azo Derivatives<\/a> \u2014 ChemPhysChem 2016, 17, 2824-2838<\/em><\/p>\n\n\n\n

2015<\/h3>\n\n\n\n

Molecular modelling of the pH influence in the geometry and the absorbance spectrum of near-infrared TagRFP675 fluorescent protein<\/a> \u2014 Phys. Chem. Chem. Phys. 2015, 17, 29363-29373<\/em><\/p>\n\n\n\n

Theoretical Computer-Aided Mutagenic Study on the Triple Green Fluorescent Protein Mutant S65T\/H148D\/Y145F<\/a> \u2014 ChemPhysChem 2015, 16, 2134-2139<\/em><\/p>\n\n\n\n

Transient low-barrier hydrogen bond in the photoactive state of green fluorescent protein<\/a> \u2014 Phys. Chem. Chem. Phys. 2015, 17, 30876-30888<\/em><\/p>\n\n\n\n

Unveiling How an Archetypal Fluorescent Protein Operates: Theoretical Perspective on the Ultrafast Excited State Dynamics of GFP Variant 565T\/H148D<\/a> \u2014 J. Phys. Chem. B 2015, 119, 2274-2291<\/em><\/p>\n\n\n\n

2014<\/h3>\n\n\n\n

Are There Really Low-Barrier Hydrogen Bonds in Proteins? The Case of Photoactive Yellow Protein<\/a> \u2014 J. Am. Chem. Soc. 2014, 136, 3542-3552<\/em><\/p>\n\n\n\n

New insights into the structure-spectrum relationship in S65T\/H148D and E222Q\/H148D green fluorescent protein mutants: a theoretical assessment<\/a> \u2014 Org. Biomol. Chem. 2014, 12, 9845-9852<\/em><\/p>\n\n\n\n

2013<\/h3>\n\n\n\n

A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms<\/a> \u2014 Phys. Chem. Chem. Phys. 2013, 15, 20236<\/em><\/p>\n\n\n\n

A time-dependent DFT\/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein<\/a> \u2014 Theor Chem Acc 2013, 132, 1327<\/em><\/p>\n\n\n\n

How Does the Environment Affect the Absorption Spectrum of the Fluorescent Protein mKeima?<\/a> \u2014 J. Chem. Theory Comput. 2013, 9, 1731-1742<\/em><\/p>\n\n\n\n

2012<\/h3>\n\n\n\n

Peek at the Potential Energy Surfaces of the LSSmKate1 and LSSmKate2 Proteins<\/a> \u2014 J. Phys. Chem. B 2012, 116, 14302-14310<\/em><\/p>\n\n\n\n

2011<\/h3>\n\n\n\n

A method to compute probability current in generic coordinates<\/a> \u2014 The Journal of Chemical Physics 2011, 134, 074115<\/em><\/p>\n\n\n\n

A variational transition state theory description of periselectivity effects on cycloadditions of ketenes with cyclopentadiene<\/a> \u2014 Theor Chem Acc 2011, 128, 569-577<\/em><\/p>\n\n\n\n

Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies<\/a> \u2014 Phys. Chem. Chem. Phys. 2011, 13, 14960<\/em><\/p>\n\n\n\n

2010<\/h3>\n\n\n\n

Bipyridyl Derivatives as Photomemory Devices: A Comparative Electronic-Structure Study<\/a> \u2014 Chemistry A European J 2010, 16, 6693-6703<\/em><\/p>\n\n\n\n

Modulating the Photochemistry of Bipyridylic Compounds by Symmetric Substitutions<\/a> \u2014 ChemPhysChem 2010, 11, 3696-3703<\/em><\/p>\n\n\n\n

2009<\/h3>\n\n\n\n

A Theoretical Assessment of Factors Causing Different Molecular Volumes in Isotopologues<\/a> \u2014 J. Phys. Chem. A 2009, 113, 14161-14169<\/em><\/p>\n\n\n\n

2008<\/h3>\n\n\n\n

A potential energy function for heterogeneous proton-wires. Ground end photoactive states of the proton-wire in the green fluorescent protein<\/a> \u2014 J. Chem. Theory Comput. 2008, 4, 1138-1150<\/em><\/p>\n\n\n\n

Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline<\/a> \u2014 The Journal of Chemical Physics 2008, 129, 214308<\/em><\/p>\n\n\n\n

Exploring the Effects of Intramolecular Vibrational Energy Redistribution on the Operation of the Proton Wire in Green Fluorescent Protein<\/a> \u2014 J. Phys. Chem. B 2008, 112, 13443-13452<\/em><\/p>\n\n\n\n

Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation<\/a> \u2014 J. Phys. Chem. B 2008, 112, 5500-5511<\/em><\/p>\n\n\n\n

Study of the photochemical properties and conical intersections of [2,2′-bipyridyl]-3-amine-3′-ol<\/a> \u2014 ChemPhysChem 2008, 9, 2068-2076<\/em><\/p>\n\n\n\n

2007<\/h3>\n\n\n\n

A comparative study on the photochemistry of two bipyridyl derivatives: [2,2 ‘-bipyridyl]-3,3 ‘-diamine and [2,2 ‘-bipyridyl]-3,3 ‘-diol<\/a> \u2014 ChemPhysChem 2007, 8, 1199-1206<\/em><\/p>\n\n\n\n

Electronic and quantum dynamical insight into the ultrafast proton transfer of 1-hydroxy-2-acetonaphthone<\/a> \u2014 The Journal of Chemical Physics 2007, 127, 084318<\/em><\/p>\n\n\n\n

2006<\/h3>\n\n\n\n

Charge-transfer pi pi* excited state in the 7-azaindole dimer. A hybrid configuration interactions singles\/time-dependent density functional theory description<\/a> \u2014 J. Phys. Chem. A 2006, 110, 1145-1151<\/em><\/p>\n\n\n\n

Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: Classical molecular dynamics and multiconfigurational electronic structure calculations<\/a> \u2014 J. Am. Chem. Soc. 2006, 128, 3564-3574<\/em><\/p>\n\n\n\n

Theoretical study on the excited-state intramolecular proton transfer in the aromatic Schiff base salicylidene methylamine: an electronic structure and quantum dynamical approach<\/a> \u2014 J. Phys. Chem. A 2006, 110, 4649-4656<\/em><\/p>\n\n\n\n

2005<\/h3>\n\n\n\n

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 [Cp*Ir(P-P)H-2](2+)<\/a> \u2014 J. Am. Chem. Soc. 2005, 127, 5632-5640<\/em><\/p>\n\n\n\n

Elongated dihydrogen versus compressed dihydride complexes: The temperature dependence of the H-D spin-spin coupling constant as a criterion to distinguish between them<\/a> \u2014 Chemistry A European J 2005, 11, 6315-6325<\/em><\/p>\n\n\n\n

2004<\/h3>\n\n\n\n

Photoinduced proton transfer from the green fluorescent protein chromophore to a water molecule: analysis of the transfer coordinate<\/a> \u2014 Chemical Physics Letters 2004, 396, 202-207<\/em><\/p>\n\n\n\n

Quantum dynamics study of the excited-state double-proton transfer in 2,2 ‘-bipyridyl-3,3 ‘-diol<\/a> \u2014 ChemPhysChem 2004, 5, 1372-1378<\/em><\/p>\n\n\n\n

Synthesis and properties of compressed dihydride complexes of iridium: Theoretical and spectroscopic investigations<\/a> \u2014 J. Am. Chem. Soc. 2004, 126, 8813-8822<\/em><\/p>\n\n\n\n

2003<\/h3>\n\n\n\n

Fast hydrogen elimination from the [Ru(PH3)(3)(CO)(H)(2)] complex in the first singlet excited states. A quantum dynamics study<\/a> \u2014 Chemical Physics 2003, 286, 149-163<\/em><\/p>\n\n\n\n

2002<\/h3>\n\n\n\n

Semiclassical initial value representation description of molecular structure problems: An elongated dihydrogen ruthenium complex<\/a> \u2014 The Journal of Chemical Physics 2002, 117, 7094-7101<\/em><\/p>\n\n\n\n

2001<\/h3>\n\n\n\n

Semiclassical description of diffraction and its quenching by the forward-backward version of the initial value representation<\/a> \u2014 The Journal of Chemical Physics 2001, 114, 2572-2579<\/em><\/p>\n\n\n\n

Semiclassical description of quantum coherence effects and their quenching: A forward-backward initial value representation study<\/a> \u2014 The Journal of Chemical Physics 2001, 114, 2562-2571<\/em><\/p>\n\n\n\n

2000<\/h3>\n\n\n\n

Nuclear dynamics discrete variable representation study of the equilibrium isotope effect on H-2 binding in M(eta(2)-H-2)L-n complexes: An effective theoretical way to account for anharmonicity<\/a> \u2014 J. Phys. Chem. A 2000, 104, 7898-7905<\/em><\/p>\n\n\n\n

Structure and dynamics of [Nb(eta(C5H4SiMe3)-C-5)(2)(eta(2)-H2BR2)] (R-2 = O2C6H4, C8H14, H-2) complexes. A combined experimental and theoretical study<\/a> \u2014 Organometallics 2000, 19, 3654-3663<\/em><\/p>\n\n\n\n

A log-derivative formulation of the prefactor for the semiclassical Herman-Kluk propagator<\/a> \u2014 J. Phys. Chem. A 2000, 104, 10321-10327<\/em><\/p>\n\n\n\n

1999<\/h3>\n\n\n\n

A DVR analysis of some vibrational modes in the elongated dihydrogen complex [Ru(eta(2)-H-2)(C5H5)(H2PCH2PH2)](+)<\/a> \u2014 Chemical Physics 1999, 241, 155-166<\/em><\/p>\n\n\n\n

1998<\/h3>\n\n\n\n

Effect of the spinning motion of the dihydrogen ligand on the properties of an elongated dihydrogen complex. A theoretical study of the trans-[Os(H center dot center dot center dot H)C1(H2PCH2CH2PH2)(2)](+) complex<\/a> \u2014 J. Am. Chem. Soc. 1998, 120, 8168-8176<\/em><\/p>\n\n\n\n

On the unexpected isotope effect on the exchange coupling constant in partially deuterated transition-metal trihydride complexes<\/a> \u2014 Ber Bunsenges Phys Chem 1998, 102, 354-358<\/em><\/p>\n\n\n\n

Temperature dependence of proton NMR chemical shift as a criterion to identify low-barrier hydrogen bonds<\/a> \u2014 J. Am. Chem. Soc. 1998, 120, 10203-10209<\/em><\/p>\n\n\n\n

1997<\/h3>\n\n\n\n

Elongated dihydrogen complexes: A combined electronic DFT plus nuclear dynamics study of the [Ru(H center dot center dot center dot H)(C5H5)(H2PCH2PH2)](+) complex<\/a> \u2014 J. Am. Chem. Soc. 1997, 119, 9840-9847<\/em><\/p>\n\n\n\n

Is an extremely low-field proton signal in the NMR spectrum conclusive evidence for a low-barrier hydrogen bond?<\/a> \u2014 J. Phys. Chem. A 1997, 101, 8727-8733<\/em><\/p>\n\n\n\n

Isotope effects on the reaction of proton transfer to benzene anions in ethanol<\/a> \u2014 Can. J. Chem. 1997, 75, 1229-1233<\/em><\/p>\n\n\n\n

Structure and dynamics of LRh\u00bbH-4\u00bb (L=Cp, Tp) systems. A theoretical study<\/a> \u2014 Organometallics 1997, 16, 3805-3814<\/em><\/p>\n\n\n\n

1996<\/h3>\n\n\n\n

Tunnelling paths for proton transfer reactions in solution. A discussion over a simplified model<\/a> \u2014 Journal of Molecular Structure: THEOCHEM 1996, 371, 161-169<\/em><\/p>\n\n\n\n

1994<\/h3>\n\n\n\n

APPLICABILITY OF THE WKB METHOD IN ASYMMETRIC DOUBLE WELLS WITH DEGENERATE AND NONDEGENERATE MINIMA<\/a> \u2014 J Comput Chem 1994, 15, 125-131<\/em><\/p>\n\n\n\n

THE ANOMALOUS ISOTOPE EFFECT FOR THE ADDITION OF PROTIUM AND MUONIUM TO PYRAZINE – A THEORETICAL-STUDY<\/a> \u2014 J. Phys. Chem. 1994, 98, 7858-7861<\/em><\/p>\n","protected":false},"excerpt":{"rendered":"

Professor agregat      Ricard Gelabert Peiri va graduar-se en Ci\u00e8ncies Qu\u00edmiques el 1992 i va ser Doctor en Qu\u00edmica el 1999 per la Universitat Aut\u00f2noma de Barcelona. Va completar la seva fase postdoctoral amb el grup del Dr. William H. Miller al Pitzer Center for Theoretical Chemistry, a la Universitat de Calif\u00f2rnia a Berkeley (EUA) […]<\/p>\n","protected":false},"author":2580,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-120","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages\/120","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/users\/2580"}],"replies":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/comments?post=120"}],"version-history":[{"count":26,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages\/120\/revisions"}],"predecessor-version":[{"id":3593,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages\/120\/revisions\/3593"}],"wp:attachment":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/media?parent=120"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}