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List of works by Miquel Torrent Sucarrat

A new approach to local hardness.

scientific article published on 26 July 2011

Analogies and differences between two ways to evaluate the global hardness

scientific article published on 01 December 2006

Angular momentum-induced delays in solid-state photoemission enhanced by intra-atomic interactions.

scientific article published in September 2017

Anharmonicity and the Eigen-Zundel Dilemma in the IR Spectrum of the Protonated 21 Water Cluster

scientific article published on 22 December 2010

Calculation of Franck–Condon factors including anharmonicity: Simulation of the C2H4+X̃B3u2←C2H4X̃Ag1 band in the photoelectron spectrum of ethylene

scientific article published on 01 May 2005

Carbon dioxide capture with the ozone-like polynitrogen molecule Li3N3.

scientific article

Density Functional Theory Study on the Demethylation Reaction between Methylamine, Dimethylamine, Trimethylamine, and Tamoxifen Catalyzed by a Fe(IV)-Oxo Porphyrin Complex.

scientific article published on 11 January 2018

Discovering Biomolecules with Huisgenase Activity: Designed Repeat Proteins as Biocatalysts for (3 + 2) Cycloadditions

scientific article published on 26 December 2019

Do the local softness and hardness indicate the softest and hardest regions of a molecule?

scientific article published on 01 January 2008

Effect of the meso-substituent in the Hückel-to-Möbius topological switches

scientific article published on 19 May 2014

Effects of a single water molecule on the OH + H2O2 reaction

scientific article published on 29 March 2012

Effects of the substituents on the reactivity of carbonyl oxides. A theoretical study on the reaction of substituted carbonyl oxides with water

scientific article published on 20 June 2011

Evaluation of the Nonlinear Optical Properties for Annulenes with Hückel and Möbius Topologies

scientific article published on 28 October 2011

Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch

scientific article published on 01 November 2012

Gas-Phase Structures, Rotational Barriers, and Conformational Properties of Hydroxyl and Mercapto Derivatives of Cyclohexa-2,5-dienone and Cyclohexa-2,5-dienthione

scientific article published on 01 July 2006

Generalizing the Breakdown of the Maximum Hardness and Minimum Polarizabilities Principles for Nontotally Symmetric Vibrations to Non-π-Conjugated Organic Molecules

article

How do the Hückel and Baird Rules Fade away in Annulenes?

scientific article published on 07 February 2020

Imaginary Vibrational Modes in Polycyclic Aromatic Hydrocarbons: A Challenging Test for the Hardness Profiles

article

Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations

article

Is the HO4- anion a key species in the aqueous-phase decomposition of ozone?

scientific article published on 3 September 2012

Local Aromaticity of Pristine and Fluorinated Carbon Nanotubes

scientific article published on 01 October 2009

Manipulating the fluorescence lifetime at the sub-cellular scale via photo-switchable barcoding

scientific article published on 18 May 2020

Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical Study

scientific article

New electron delocalization tools to describe the aromaticity in porphyrinoids.

scientific article published on 11 January 2018

O2 activation and selective phenolate ortho hydroxylation by an unsymmetric dicopper mu-eta1:eta1-peroxido complex.

scientific article published on March 2010

On the Validity of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations

scientific article published on 01 August 2001

On the gas phase hydrogen bond complexes between formic acid and hydroperoxyl radical. A theoretical study

scientific article published on 01 August 2006

On the quality of the hardness kernel and the Fukui function to evaluate the global hardness

scientific article published on 01 January 2007

Protonation of water clusters induced by hydroperoxyl radical surface adsorption

scientific article published on 23 March 2011

Quantum similarity study of atoms: a bridge between hardness and similarity indices

scientific article published on 01 June 2007

Rational design of substituted maleimide dyes with tunable fluorescence and solvafluorochromism.

scientific article

Relevance of the DFT method to study expanded porphyrins with different topologies

scientific article published on 30 September 2017

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes.

scientific article published on 10 June 2009

Steric effect: partitioning in atomic and functional group contributions

scientific article published on 01 April 2009

Stiffness and Raman intensity: a conceptual and computational DFT study

scientific article published on 01 July 2005

Sulfuric acid as autocatalyst in the formation of sulfuric acid

scientific article published on 13 December 2012

The Breakdown of the Minimum Polarizability Principle in Vibrational Motions as an Indicator of the Most Aromatic Center

article

The gas-phase hydrogen bond complexes between formic acid with hydroxyl radical: a theoretical study.

scientific article published in February 2004

The hardness kernel as the basis for global and local reactivity indices

scientific article published on 01 May 2008

The hardness profile as a tool to detect spurious stationary points in the potential energy surface

scientific article published on 01 June 2004

The reactions of SO3 with HO2 radical and H2O...HO2 radical complex. Theoretical study on the atmospheric formation of HSO5 and H2SO4

scientific article published on 14 January 2010

Two-State Reactivity of Histone Demethylases Containing Jumonji-C Active Sites: Different Mechanisms for Different Methylation Degrees.

scientific article published on 11 October 2016

Variational calculation of static and dynamic vibrational nonlinear optical properties

scientific article published on 01 August 2007

Variational calculation of vibrational linear and nonlinear optical properties.

scientific article

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