List of works - Miquel Moreno

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 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

Bidirectional redox molecular switches: electron-induced cyclization and cycloreversion processes in metacyclophanes

scientific article published on 11 July 2012

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

Evidence for a Transition Between Singlet and Triplet States in the Electrochemical Reduction of 2,2′-4,4′-Tetranitrobiphenyl ⬇️

scientific article published on December 17, 2001

Experimental and theoretical insights into the influence of electronic density on proton-transfer reactions

scientific article published on 01 October 2018

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

Facile Ru-H2 heterolytic activation and intramolecular proton transfer assisted by basic N-centers in the ligands.

scientific article published in November 2005

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.

scientific article published in October 2004

First examples of a modulated bridging mu(2)-1:2kappan-triazine in double helical silver compounds. experimental and theoretical evidence.

scientific article published in April 2010

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

scientific article published on 20 February 2013

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

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

scientific article published on 30 November 2012

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

Secondary kinetic isotope effect on the photoenolization of triplet o-methylanthrones. A microcanonical transition state theory calculation

scientific article published on 18 September 2007

Spectroscopy and dynamics of dehydrobenzo[12]annulene derivatives possessing peripheral carboxyphenyl groups: theory and experiment.

scientific article published on 5 January 2018

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

scientific article published in October 2008

Testing electronic structure methods for describing intermolecular H...H interactions in supramolecular chemistry.

scientific article published in January 2004

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

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

Variational transition state theory as a tool to determine kinetic selectivity in reactions involving a valley-ridge inflection point

scientific article published on 01 October 2004

List of works by Miquel Moreno