{"id":285,"date":"2023-02-28T22:34:24","date_gmt":"2023-02-28T20:34:24","guid":{"rendered":"https:\/\/webs.uab.cat\/dmrqb\/miquel-moreno-ferrer\/"},"modified":"2026-10-13T11:28:37","modified_gmt":"2026-10-13T09:28:37","slug":"miquel-moreno-ferrer","status":"publish","type":"page","link":"https:\/\/webs.uab.cat\/molbiomed\/es\/miquel-moreno-ferrer\/","title":{"rendered":"Miquel Moreno Ferrer"},"content":{"rendered":"\n
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Catedr\u00e1tico \u00b7 Investigador principal<\/p>\n\n\n\n

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

Miquel Moreno Ferrer<\/strong> naci\u00f3 en Girona en 1960. Curs\u00f3 el primer ciclo de la carrera de qu\u00edmicas en el entonces llamado Colegio Universitario de Girona, adscrito a la Universitat Aut\u00f2noma de Barcelona (UAB) donde complet\u00f3 la licenciatura en 1982. En 1986 se doctor\u00f3 por la misma universidad con la tesis titulada \u201cestudio te\u00f3rico de las reacciones de los carbenos\u201d. En los a\u00f1os 1987-1988 realiz\u00f3 una estancia postdoctoral en la universidad de California Berkeley bajo la direcci\u00f3n del profesor Bill Miller trabajando en el estudio del efecto t\u00fanel nuclear usando m\u00e9todos semicl\u00e1sicos. En 1990 consigui\u00f3 una plaza de profesor titular en la UAB y desde 2009 es catedr\u00e1tico de universidad en la UAB. A lo largo de estos a\u00f1os ha codirigido 11 tesis doctorales y ha publicado 136 trabajos de investigaci\u00f3n en revistas de \u00e1mbito internacional y un libro de referencia en Qu\u00edmica cu\u00e0ntica. <\/p>\n\n\n\n

Los temas de investigaci\u00f3n en que se interesa actualmente se encuentran en el campo de la fotoqu\u00edmica: Estudios te\u00f3ricos de dise\u00f1o de fotointerruptores y su aplicaci\u00f3n en el campo de la fotofarmacolog\u00eda. Tambi\u00e9n se interesa en el estudio te\u00f3rico de los procesos no lineales de absorci\u00f3n multifot\u00f3nica como herramienta para conseguir fotoexcitaciones con luz de mayor longitud de onda. Sus principales aficiones son el esqu\u00ed y el excursionismo, adem\u00e1s de la fotograf\u00eda.<\/p>\n<\/div>\n<\/div>\n<\/div><\/div>\n\n\n\n

\u00daltimas publicaciones<\/h2>\n\n\n\n
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Commun Chem 2026<\/p>\n<\/div>\n\n\n\n

Exploring the photodynamical landscape of biomimetic lumichrome\u2013ephedrine-class amine complexes across femtosecond to millisecond regimes<\/h3>\n\n\n\n
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Leer el art\u00edculo \u2192<\/a><\/div>\n<\/div>\n<\/div>\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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Leer el art\u00edculo \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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Leer el art\u00edculo \u2192<\/a><\/div>\n<\/div>\n<\/div>\n<\/div>\n\n\n\n

Todas las publicaciones 140 art\u00edculos<\/span><\/h2>\n\n\n\n

Ver todas las publicaciones del grupo \u2192<\/a><\/p>\n\n\n\n

2026<\/h3>\n\n\n\n

Exploring the photodynamical landscape of biomimetic lumichrome\u2013ephedrine-class amine complexes across femtosecond to millisecond regimes<\/a> \u2014 Commun Chem 2026<\/em><\/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

2021<\/h3>\n\n\n\n

Deciphering the behavior of a new MOF and its composites under light at ensemble and single crystal levels: relevance to its photonic applications<\/a> \u2014 J. Mater. Chem. C 2021, 9, 6418-6435<\/em><\/p>\n\n\n\n

2020<\/h3>\n\n\n\n

Shape-Persistent Phenylene-Ethynylene Macrocycles Spectroscopy and Dynamics: From Molecules to the Hydrogen-Bonded Organic Framework Material<\/a> \u2014 J. Phys. Chem. C 2020, 124, 6938-6951<\/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

Optical characterization of a two-dimensional BODIPY-based polymer material and its related chromophores<\/a> \u2014 J. Mater. Chem. C 2019, 7, 7872-7884<\/em><\/p>\n\n\n\n

Spectroscopy and dynamics of a HOF and its molecular units: remarkable vapor acid sensing<\/a> \u2014 J. Mater. Chem. C 2019, 7, 10818-10832<\/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

Experimental and theoretical insights into the influence of electronic density on proton-transfer reactions<\/a> \u2014 Phys. Chem. Chem. Phys. 2018, 20, 27149-27161<\/em><\/p>\n\n\n\n

From 4-nitrotoluene and 4,4\u2032-dinitrobibenzyl to E-4,4\u2032-dinitrostilbene: an electrochemical approach<\/a> \u2014 New J. Chem. 2018, 42, 7005-7015<\/em><\/p>\n\n\n\n

Spectroscopy and dynamics of dehydrobenzo[12]annulene derivatives possessing peripheral carboxyphenyl groups: theory and experiment<\/a> \u2014 Phys. Chem. Chem. Phys. 2018, 20, 7415-7427<\/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

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

Direct observation of breaking the intramolecular H-bond, slowing down the proton motion and tuning its mechanism in an HBO derivative. \u2014 Physical Chemistry Chemical Physics 2015<\/em><\/p>\n\n\n\n

Theoretical computer-aided mutagenic study on the triple green fluorescent mutant S65T\/H148D\/Y145Ft \u2014 chemphyschem 2015<\/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

Experimental and theoretical evidence of unsupported Ag-Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents<\/a> \u2014 New J. Chem. 2013, 37, 3183<\/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

Bidirectional Redox Molecular Switches: Electron-induced Cyclization and Cycloreversion Processes in Metacyclophanes<\/a> \u2014 Chemistry A European J 2012, 18, 9807-9812<\/em><\/p>\n\n\n\n

Experimental and Computational Evidence for the Participation of Nonclassical Dihydrogen Species in Proton Transfer Processes on Ru-Arene Complexes with Uncoordinated N Centers. Efficient Catalytic Deuterium Labeling of H-2 with CD3OD<\/a> \u2014 Organometallics 2012, 31, 3087-3100<\/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

First Examples of a Modulated Bridging mu(2)-1:2 kappa N-Triazine in Double Helical Silver Compounds. Experimental and Theoretical Evidence<\/a> \u2014 Inorg. Chem. 2010, 49, 3828-3835<\/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

Secondary kinetic isotope effect on the photoenolization of triplet O-methylanthrones. A microcanonical transition state theory calculation<\/a> \u2014 J. Phys. Chem. A 2007, 111, 10090-10097<\/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

Molecular modeling of the kinetic isotope effect on the intramolecular hydrogen atom transfer in triplet 6,9-dimethylbenzosuberone<\/a> \u2014 Chemical Physics 2006, 328, 410-420<\/em><\/p>\n\n\n\n

On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study<\/a> \u2014 Chemical Physics 2006, 325, 243-250<\/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

On the planarity of the tropolone molecule in the A(similar to 1)B(2) excited state: A time dependent DFT geometry optimisation<\/a> \u2014 Chemical Physics Letters 2005, 405, 187-192<\/em><\/p>\n\n\n\n

Theoretical study of the photoinduced intramolecular proton transfer and rotational processes in 2-(2 ‘ hydroxyphenyl)-4-methyloxazole in gas phase and embedded in beta-cyclodextrin<\/a> \u2014 Journal of Photochemistry and Photobiology A: Chemistry 2005, 173, 365-374<\/em><\/p>\n\n\n\n

Facile Ru-H-2 heterolytic activation and intramolecular proton transfer assisted by basic N-centers in the ligands<\/a> \u2014 J. Am. Chem. Soc. 2005, 127, 15364-15365<\/em><\/p>\n\n\n\n

Theoretical, dynamic, and structural studies of the phenyl rotation in bispentafluorophenyl palladium complexes with scorpion-type ligands<\/a> \u2014 Can. J. Chem. 2005, 83, 2106-2119<\/em><\/p>\n\n\n\n

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

Fast hydrogen elimination from the [Ru(PH3)(3)(CO)(H)(2)] and [Ru(PH3)(4)(H)(2)] complexes in the first singlet excited states: A diabatic quantum dynamics study<\/a> \u2014 The Journal of Chemical Physics 2004, 121, 6258-6267<\/em><\/p>\n\n\n\n

Ground and excited state hydrogen atom transfer reactions and cyclization of 2-acetylbenzoic acid<\/a> \u2014 J. Phys. Chem. A 2004, 108, 9331-9341<\/em><\/p>\n\n\n\n

Kinetic isotope effect on the photoenolization of o-methylanthrone. A microcanonical transition state theory calculation<\/a> \u2014 J. Phys. Chem. A 2004, 108, 4536-4541<\/em><\/p>\n\n\n\n

Molecular dynamics of excited state intramolecular proton transfer: 2-(2 ‘-hydroxyphenyl)-4-methyloxazole in gas phase, solution, and protein environments<\/a> \u2014 J. Phys. Chem. B 2004, 108, 6616-6623<\/em><\/p>\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

Testing electronic structure methods for describing intermolecular H center dot center dot center dot H interactions in supramolecular chemistry<\/a> \u2014 J Comput Chem 2004, 25, 99-105<\/em><\/p>\n\n\n\n

Variational transition state theory as a tool to determine kinetic selectivity in reactions involving a valley-ridge inflection point<\/a> \u2014 J. Am. Chem. Soc. 2004, 126, 13089-13094<\/em><\/p>\n\n\n\n

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

A theoretical study of the ground and first excited singlet state proton transfer reaction in isolated 7-azaindole-water complexes<\/a> \u2014 Chemical Physics 2003, 290, 319-336<\/em><\/p>\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

A combined nuclear dynamics and electronic study of the coupling between the internal rotation of the methyl group and the intramolecular proton transfer in 5-methyltropolone<\/a> \u2014 Journal of Chemical Physics 2002<\/em><\/p>\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

The photoinduced intramolecular proton transfer in 2-(2 ‘-hydroxyphonyl)-4-methyloxazole embedded in beta-cyclodextrin<\/a> \u2014 Chemical Physics Letters 2002, 356, 423-430<\/em><\/p>\n\n\n\n

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

A discrete variable representation study of the dynamics of the double proton transfer in bicyclic oxalamidines<\/a> \u2014 Chemical Physics Letters 2001, 340, 591-596<\/em><\/p>\n\n\n\n

Ab initio based exploration of the potential energy surface for the double proton transfer in the first excited singlet electronic state of the 7-azaindole dimer<\/a> \u2014 J. Phys. Chem. A 2001, 105, 3887-3893<\/em><\/p>\n\n\n\n

Equilibrium isotope effect for the W(CO)(3)(PCy3)(2)(H)(2)\/W(Co)(3)(PCy3)(2)(eta(2)-H-2) tautomeric equilibrium: A nuclear dynamics variable representation study<\/a> \u2014 J. Phys. Chem. A 2001, 105, 4676-4681<\/em><\/p>\n\n\n\n

Quantum mechanical phenomena in dihydrogen and polyhydride transition metal systems: a unified view<\/a> \u2014 Recent Advances in Hydride Chemistry 2001, 419-461<\/em><\/p>\n\n\n\n

Evidence for a transition between singlet and triplet states in the electrochemical reduction of 2,2 ‘-4,4 ‘-tetranitrobiphenyl<\/a> \u2014 ChemPhysChem 2001, 2, 754<\/em><\/p>\n\n\n\n

Reply to \u00abPhotoinduced proton transfer and rotational motion of 1-hydroxy-2-acetonaphthone in the S-1 state: A theoretical insight into its photophysics\u00bb (J. Phys. Chem. A 2000, 104, 8424)<\/a> \u2014 J. Phys. Chem. A 2001, 105, 7317-7320<\/em><\/p>\n\n\n\n

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

A theoretical insight into the internal H-bond and related rotational motion and proton transfer processes of 1-hydroxy-2-acetonaphthone in the S-0 state<\/a> \u2014 Chemical Physics Letters 2000, 328, 83-89<\/em><\/p>\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

On the experimental evidences for 7-azaindole base-pair model ultrafast phototautomerization<\/a> \u2014 Chemical Physics Letters 2000, 324, 81-87<\/em><\/p>\n\n\n\n

On the theoretical reports on 7-azaindole base-pair phototautomerization<\/a> \u2014 Chemical Physics Letters 2000, 324, 75-80<\/em><\/p>\n\n\n\n

Photoinduced proton transfer and rotational motion of 1-hydroxy-2-acetonaphthone in the S-1 state: A theoretical insight into its photophysics<\/a> \u2014 J. Phys. Chem. A 2000, 104, 8424-8431<\/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

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

Theoretical study of the effect of Lewis acids on dihydrogen elimination from niobocene trihydrides<\/a> \u2014 Chem. Eur. J. 1999, 5, 1166-1171<\/em><\/p>\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

DNA mutations induced by proton and charge transfer in the low-lying excited singlet electronic states of the DNA base pairs: A theoretical insight<\/a> \u2014 J. Phys. Chem. A 1999, 103, 6251-6256<\/em><\/p>\n\n\n\n

Effect of deuteration on the fluorescence excitation spectrum of tropolone: a theoretical study<\/a> \u2014 Chemical Physics 1999, 246, 103-113<\/em><\/p>\n\n\n\n

Proton-transfer reaction in isolated and water-complexed 8-hydroxyimidazo[1,2-a]pyridine in the S-0 and S-1 electronic states. A theoretical study<\/a> \u2014 J. Phys. Chem. A 1999, 103, 5301-5306<\/em><\/p>\n\n\n\n

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

A theoretical study of the isotope effects on the fluorescence excitation spectrum of 5-aminotropolone<\/a> \u2014 The Journal of Chemical Physics 1998, 108, 8114-8122<\/em><\/p>\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 localization of the electronic excitation in supramolecules built up by equivalent units linked by hydrogen bonds<\/a> \u2014 Chemical Physics 1998, 228, 1-7<\/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

Theoretical study of the effect of a Lewis acid on hydrogen exchange coupling in a trihydride metallocene: The Cp2NbH3.AlH3 system<\/a> \u2014 Inorg. Chem. 1998, 37, 2334-2339<\/em><\/p>\n\n\n\n

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

Dihydrogen formation in a trihydride metallocene and its elimination, both assisted by Lewis acids: The [Cp(2)NbH(3)]+BH3 system<\/a> \u2014 Angew. Chem. Int. Ed. Engl. 1997, 36, 265-266<\/em><\/p>\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

On the photoisomerization of 5-hydroxytropolone: An ab initio and nuclear wave function study<\/a> \u2014 The Journal of Chemical Physics 1997, 107, 6275-6282<\/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

Synthesis and spectroscopic properties of dihydrogen isocyanide niobocene [Nb(eta(5)-C5H4SiMe3)(2)(eta(2)-H-2)(CNR)](+) complexes. Experimental and theoretical study of the blocked rotation of a coordinated dihydrogen<\/a> \u2014 J. Am. Chem. Soc. 1997, 119, 6107-6114<\/em><\/p>\n\n\n\n

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

H-atom transfer and rotational processes in the ground and first singlet excited electronic states of 2-(2′-hydroxyphenyl)oxazole derivatives: Experimental and theoretical studies<\/a> \u2014 J. Phys. Chem. 1996, 100, 19789-19794<\/em><\/p>\n\n\n\n

Theoretical study of molecular dynamics in model base pairs<\/a> \u2014 Chemical Physics Letters 1996, 256, 370-376<\/em><\/p>\n\n\n\n

Theoretical study of the hydrogen exchange coupling in the metallocene trihydride complexes [(C5H5)(2)MH(3)](n+) (M=Mo, W, n=1; M=Nb, Ta, n=0)<\/a> \u2014 J. Am. Chem. Soc. 1996, 118, 4617-4621<\/em><\/p>\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

alpha-bond cleavage upon electronic excitation of acetyl chloride – Study of CI single surfaces by full geometry optimization<\/a> \u2014 J. Chem. Soc., Faraday Trans. 1996, 92, 373-375<\/em><\/p>\n\n\n\n

Are anion radicals nucleophiles and\/or outersphere electron donors? An ab initio study of the reaction of ethylene and formaldehyde anion radicals with methyl fluoride and chloride<\/a> \u2014 J. Am. Chem. Soc. 1996, 118, 5737-5744<\/em><\/p>\n\n\n\n

1995<\/h3>\n\n\n\n

BIDIMENSIONAL TUNNELING SPLITTING IN THE (A)OVER-TILDE(1)B(2) AND (X)OVER-TILDE(1)A(1) STATES OF TROPOLONE<\/a> \u2014 The Journal of Chemical Physics 1995, 103, 353-359<\/em><\/p>\n\n\n\n

QUANTUM-MECHANICAL HYDROGEN-EXCHANGE COUPLING IN [(C2H5)IR(L)H-3](+) COMPLEXES (L=PH3, CO) – A COMBINED AB-INITIO TUNNELING DYNAMICS STUDY<\/a> \u2014 J. Am. Chem. Soc. 1995, 117, 1069-1075<\/em><\/p>\n\n\n\n

TOPOLOGICALLY CONTROLLED COULOMBIC INTERACTIONS, A NEW TOOL IN THE DEVELOPING OF NOVEL REACTIVITY – PHOTOCHEMICAL AND ELECTROCHEMICAL CLEAVAGE OF PHENYL ALKYL ETHERS<\/a> \u2014 J. Org. Chem. 1995, 60, 3814-3825<\/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

INTRAMOLECULAR HYDROGEN-BONDING IN PRIMARY HYDROXYL OF THYMINE 1-(1-DEOXY-BETA-D-PSICOFURANOSYL) NUCLEOSIDE<\/a> \u2014 Tetrahedron 1994, 50, 6689-6694<\/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\n\n\n

1993<\/h3>\n\n\n\n

A CL-ALL-SINGLE-EXCITATIONS STUDY OF NORRISH TYPE-I PROCESS IN ACETYL-CHLORIDE<\/a> \u2014 J. Phys. Chem. 1993, 97, 12186-12188<\/em><\/p>\n\n\n\n

AB-INITIO CALCULATIONS OF THE QUANTUM-MECHANICAL HYDROGEN-EXCHANGE COUPLING IN THE [(C5H5)IR(PH3)H3]+ COMPLEX<\/a> \u2014 J. Am. Chem. Soc. 1993, 115, 5861-5862<\/em><\/p>\n\n\n\n

1992<\/h3>\n\n\n\n

A SEMICLASSICAL SIMULATION FOR TUNNELING DYNAMICS OF MALONALDEHYDE AND HYDROGENOXALATE ANION<\/a> \u2014 Chemical Physics 1992, 159, 99-107<\/em><\/p>\n\n\n\n

ABINITIO STUDY OF THE NH3+OH REACTION<\/a> \u2014 Chemical Physics 1992, 165, 41-46<\/em><\/p>\n\n\n\n

ABINITIO STUDY ON THE EFFECT OF ATTACHING A HYDROGEN MOLECULE TO THE (H5O2)+ ION CLUSTER<\/a> \u2014 The Journal of Chemical Physics 1992, 97, 6469-6471<\/em><\/p>\n\n\n\n

INTRAMOLECULAR HYDROGEN-BONDING IN RIBONUCLEOSIDE SUGAR HYDROXYLS – AN ABINITIO STUDY<\/a> \u2014 Can. J. Chem. 1992, 70, 1640-1644<\/em><\/p>\n\n\n\n

THE ROLE OF COUPLING IN INTRAMOLECULAR PROTON-TRANSFER REACTIONS – THE HYDROGEN OXALATE ANION AS AN EXAMPLE<\/a> \u2014 Can. J. Chem. 1992, 70, 100-106<\/em><\/p>\n\n\n\n

THE USE OF OPTIMIZED TUNNELING PATHS WITHIN A MODEL BASED ON CLASSICAL TRAJECTORIES<\/a> \u2014 Chemical Physics Letters 1992, 196, 73-78<\/em><\/p>\n\n\n\n

TUNNELING DYNAMICS IN ISOTOPICALLY SUBSTITUTED MALONALDEHYDE – COMPARISON BETWEEN SYMMETRICAL AND ASYMMETRIC SPECIES<\/a> \u2014 J. Am. Chem. Soc. 1992, 114, 2072-2076<\/em><\/p>\n\n\n\n

DISSOCIATIVE ELECTRON-TRANSFER – ABINITIO STUDY OF THE CARBON HALOGEN BOND REDUCTIVE CLEAVAGE IN METHYL AND PERFLUOROMETHYL HALIDES – ROLE OF THE SOLVENT<\/a> \u2014 J. Am. Chem. Soc. 1992, 114, 9576-9583<\/em><\/p>\n\n\n\n

1991<\/h3>\n\n\n\n

THEORETICAL-STUDY OF THE OXIDATION MECHANISM OF AROMATIC-AMINES<\/a> \u2014 J. Chem. Soc., Perkin Trans. 2 1991, 1437-1443<\/em><\/p>\n\n\n\n

1990<\/h3>\n\n\n\n

BIDIMENSIONAL TUNNELING DYNAMICS OF MALONALDEHYDE AND HYDROGENOXALATE ANION – A COMPARATIVE-STUDY<\/a> \u2014 The Journal of Chemical Physics 1990, 93, 5685-5692<\/em><\/p>\n\n\n\n

CANONICAL VARIATIONAL TRANSITION-STATE COMPARATIVE-STUDY FOR LI+ + H2O-][LI.(H2O)]+, NA+ + H2O-][NAT.(H2O)]+, K+ + H2O-][K+.(H2O)]+ ASSOCIATION REACTIONS<\/a> \u2014 J. Chem. Soc., Faraday Trans. 1990, 86, 241-245<\/em><\/p>\n\n\n\n

COMPARISON BETWEEN INTRAMOLECULAR PROTON TRANSFERS INVOLVING THE CARBOXYLATE AND ALKOXIDE GROUPS<\/a> \u2014 Chemical Physics 1990, 148, 77-83<\/em><\/p>\n\n\n\n

ON THE TAUTOMERIZATION REACTION 2-PYRIDONE-REVERSIBLE-2-HYDROXYPYRIDINE – AN ABINITIO STUDY<\/a> \u2014 Chemical Physics Letters 1990, 171, 475-479<\/em><\/p>\n\n\n\n

1989<\/h3>\n\n\n\n

INTRINSIC REACTION COORDINATE CALCULATIONS FOR REACTION PATHS POSSESSING BRANCHING POINTS<\/a> \u2014 Chemical Physics Letters 1989, 160, 543-548<\/em><\/p>\n\n\n\n

A MOLECULAR-ORBITAL STUDY OF PHENYLCARBENE AND DIPHENYLCARBENE<\/a> \u2014 J. Org. Chem. 1989, 54, 5487-5491<\/em><\/p>\n\n\n\n

ELECTRONIC REDUCTION OF HALOAROMATIC COMPOUNDS – A THEORETICAL-STUDY<\/a> \u2014 J. Chem. Soc., Perkin Trans. 2 1989, 2017-2021<\/em><\/p>\n\n\n\n

1988<\/h3>\n\n\n\n

REACTIONS OF SINGLET AND TRIPLET METHYLENE WITH A C-H BOND OF ETHYLENE – AN ABINITIO STUDY<\/a> \u2014 J. Phys. Chem. 1988, 92, 4180-4184<\/em><\/p>\n\n\n\n

THE REACTIVITY OF TRIPLET CARBENES – AN ABINITIO STUDY \u2014 Theochem-Journal of Molecular Structure 1988<\/em><\/p>\n\n\n\n

1987<\/h3>\n\n\n\n

THE EFFECT OF ELECTRON-PAIR DONOR SOLVENTS ON METHYLENE REACTIVITY<\/a> \u2014 Can. J. Chem. 1987, 65, 2774-2778<\/em><\/p>\n\n\n\n

ON THE ELECTROREDUCTION MECHANISM OF HALOBENZENES .1. A QUANTUM CHEMICAL APPROACH<\/a> \u2014 Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 1987, 219, 197-208<\/em><\/p>\n\n\n\n

1986<\/h3>\n\n\n\n

THEORETICAL-STUDY OF THE DEPENDENCE ON SUBSTRATE OF THE REACTIVITY OF CARBENES<\/a> \u2014 J. Chem. Soc., Perkin Trans. 2 1986, 183<\/em><\/p>\n\n\n\n

1985<\/h3>\n\n\n\n

THE LOCATION OF TRANSITION-STATES FOR THE ADDITION OF SINGLET METHYLENE TO SUBSTITUTED ETHYLENES<\/a> \u2014 J. Chem. Soc., Perkin Trans. 2 1985, 131-134<\/em><\/p>\n\n\n\n

THE REACTIVITY OF SINGLET CARBENES – AN ABINITIO STUDY<\/a> \u2014 Chemical Physics 1985, 100, 33-37<\/em><\/p>\n\n\n\n

1984<\/h3>\n\n\n\n

THE MECHANISM OF THE METHYLENE ADDITION TO ETHYLENE<\/a> \u2014 Journal of Molecular Structure: THEOCHEM 1984, 107, 227-232<\/em><\/p>\n","protected":false},"excerpt":{"rendered":"

Catedr\u00e1tico \u00b7 Investigador principal      Miquel Moreno Ferrer naci\u00f3 en Girona en 1960. Curs\u00f3 el primer ciclo de la carrera de qu\u00edmicas en el entonces llamado Colegio Universitario de Girona, adscrito a la Universitat Aut\u00f2noma de Barcelona (UAB) donde complet\u00f3 la licenciatura en 1982. En 1986 se doctor\u00f3 por la misma universidad con la tesis […]<\/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-285","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages\/285","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/users\/2580"}],"replies":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/comments?post=285"}],"version-history":[{"count":16,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages\/285\/revisions"}],"predecessor-version":[{"id":3592,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages\/285\/revisions\/3592"}],"wp:attachment":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/media?parent=285"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}