On the applicability of local softness and hardness
TORRENT-SUCARRAT, M, DE PROFT, F, AYERS, P. W, GEERLINGS, P
Published in Physical chemistry chemical physics : PCCP (07.02.2010)
Published in Physical chemistry chemical physics : PCCP (07.02.2010)
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Journal Article
Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes
TORRENT-SUCARRAT, M, ANGLADA, J. M, LUIS, J. M
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
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Journal Article
A new approach to local hardness
GAL, T, GEERLINGS, P, DE PROFT, F, TORRENT-SUCARRAT, M
Published in Physical chemistry chemical physics : PCCP (07.09.2011)
Published in Physical chemistry chemical physics : PCCP (07.09.2011)
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Journal Article
Quantum similarity study of atoms: a bridge between hardness and similarity indices
Borgoo, A, Torrent-Sucarrat, M, De Proft, F, Geerlings, P
Published in The Journal of chemical physics (21.06.2007)
Published in The Journal of chemical physics (21.06.2007)
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Journal Article
On the Gas Phase Hydrogen Bond Complexes between Formic Acid and Hydroperoxyl Radical. A Theoretical Study
Torrent-Sucarrat, M, Anglada, J. M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.08.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.08.2006)
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Journal Article
Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations
De Proft, F, Chattaraj, P. K, Ayers, P. W, Torrent-Sucarrat, M, Elango, M, Subramanian, V, Giri, S, Geerlings, P
Published in Journal of chemical theory and computation (01.04.2008)
Published in Journal of chemical theory and computation (01.04.2008)
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Journal Article
Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination
Osuna, Sílvia, Torrent-Sucarrat, Miquel, Solà, Miquel, Geerlings, Paul, Ewels, Christopher P, Lier, Gregory Van
Published in Journal of physical chemistry. C (04.03.2010)
Published in Journal of physical chemistry. C (04.03.2010)
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Journal Article
Variational calculation of vibrational linear and nonlinear optical properties
Torrent-Sucarrat, Miquel, Luis, Josep M, Kirtman, Bernard
Published in The Journal of chemical physics (22.05.2005)
Published in The Journal of chemical physics (22.05.2005)
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Journal Article
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules
Torrent-Sucarrat, Miquel, Solà, Miquel, Duran, Miquel, Luis, Josep M, Kirtman, Bernard
Published in The Journal of chemical physics (08.04.2004)
Published in The Journal of chemical physics (08.04.2004)
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Journal Article
Generalizing the Breakdown of the Maximum Hardness and Minimum Polarizabilities Principles for Nontotally Symmetric Vibrations to Non-π-Conjugated Organic Molecules
Torrent-Sucarrat, Miquel, Duran, Miquel, Luis, Josep M., Solà, Miquel
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2005)
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Journal Article
Evaluation of the Analogy between Exceptions to the Generalized Maximum Hardness Principle for Non-Totally-Symmetric Vibrations and the Pseudo-Jahn−Teller Effect
Blancafort, Lluís, Torrent-Sucarrat, Miquel, Luis, Josep M, Duran, Miquel, Solà, Miquel
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2003)
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Journal Article
Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer
Torrent-Sucarrat, Miquel, Duran, Miquel, Luis, Josep M., Solà, Miquel
Published in Journal of Chemical Sciences (01.09.2005)
Published in Journal of Chemical Sciences (01.09.2005)
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Journal Article