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Miquel Torrent-Sucarrat - Publications

Affiliations: 
Chemistry IKERBASQUE @ Euskal Herriko Unibertsitatea 
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46 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Casademont-Reig I, Woller T, Torrent-Sucarrat M, Matito E, Alonso M. Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36194440 DOI: 10.1002/chem.202202264  0.557
2022 Casademont-Reig I, Soriano-Agueda L, Ramos-Cordoba E, Torrent-Sucarrat M, Matito E. Reply to the Correspondence on "How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring". Angewandte Chemie (International Ed. in English). e202206836. PMID 35818692 DOI: 10.1002/anie.202206836  0.562
2021 Matito E, Casademont I, Ramos-Cordoba E, Torrent-Sucarrat M, Guerrero-Avilés R. How aromatic are molecular nanorings? The case of a six-porphyrin nanoring†. Angewandte Chemie (International Ed. in English). PMID 34260804 DOI: 10.1002/anie.202108997  0.592
2020 Casademont-Reig I, Ramos-Cordoba E, Torrent-Sucarrat M, Matito E. How do the Hückel and Baird Rules Fade away in Annulenes? Molecules (Basel, Switzerland). 25. PMID 32045990 DOI: 10.3390/Molecules25030711  0.595
2018 Casademont-Reig I, Woller T, Contreras-García J, Alonso M, Torrent-Sucarrat M, Matito E. New electron delocalization tools to describe the aromaticity in porphyrinoids. Physical Chemistry Chemical Physics : Pccp. PMID 29323373 DOI: 10.1039/C7Cp07581B  0.57
2018 Alberro N, Torrent-Sucarrat M, Arrieta A, Rubiales G, Cossío FP. Density Functional Theory Study on the Demethylation Reaction between Methylamine, Dimethylamine, Trimethylamine, and Tamoxifen Catalyzed by a Fe(IV)-Oxo Porphyrin Complex. The Journal of Physical Chemistry. A. 122: 1658-1671. PMID 29320849 DOI: 10.1021/Acs.Jpca.7B10654  0.318
2018 Torrent-Sucarrat M, Arrastia I, Arrieta A, Cossío FP. Stereoselectivity, Different Oxidation States, and Multiple Spin States in the Cyclopropanation of Olefins Catalyzed by Fe–Porphyrin Complexes Acs Catalysis. 8: 11140-11153. DOI: 10.1021/Acscatal.8B01492  0.303
2017 Torrent-Sucarrat M, Navarro S, Cossío FP, Anglada JM, Luis JM. Relevance of the DFT method to study expanded porphyrins with different topologies. Journal of Computational Chemistry. PMID 28963854 DOI: 10.1002/Jcc.25074  0.404
2017 Siek F, Neb S, Bartz P, Hensen M, Strüber C, Fiechter S, Torrent-Sucarrat M, Silkin VM, Krasovskii EE, Kabachnik NM, Fritzsche S, Muiño RD, Echenique PM, Kazansky AK, Müller N, et al. Angular momentum-induced delays in solid-state photoemission enhanced by intra-atomic interactions. Science (New York, N.Y.). 357: 1274-1277. PMID 28935802 DOI: 10.1126/Science.Aam9598  0.306
2017 Torrent-Sucarrat M, Navarro S, Marcos E, Anglada JM, Luis JM. Design of Hückel–Möbius Topological Switches with High Nonlinear Optical Properties The Journal of Physical Chemistry C. 121: 19348-19357. DOI: 10.1021/Acs.Jpcc.7B05900  0.373
2014 Marcos E, Anglada JM, Torrent-Sucarrat M. Effect of the meso-substituent in the Hückel-to-Möbius topological switches. The Journal of Organic Chemistry. 79: 5036-46. PMID 24816245 DOI: 10.1021/Jo500569P  0.355
2012 Torrent-Sucarrat M, Anglada JM, Luis JM. Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch. The Journal of Chemical Physics. 137: 184306. PMID 23163370 DOI: 10.1063/1.4765667  0.385
2012 Marcos E, Anglada JM, Torrent-Sucarrat M. Theoretical Study of the Switching between Hückel and Möbius Topologies for Expanded Porphyrins The Journal of Physical Chemistry C. 116: 24358-24366. DOI: 10.1021/Jp3083612  0.387
2011 Torrent-Sucarrat M, Anglada JM, Luis JM. Evaluation of the Nonlinear Optical Properties for Annulenes with Hückel and Möbius Topologies. Journal of Chemical Theory and Computation. 7: 3935-43. PMID 26598339 DOI: 10.1021/Ct2005424  0.331
2011 Gál T, Geerlings P, De Proft F, Torrent-Sucarrat M. A new approach to local hardness. Physical Chemistry Chemical Physics : Pccp. 13: 15003-15. PMID 21792396 DOI: 10.1039/C1Cp21213C  0.368
2011 Gonzalez J, Caballero M, Aguilar-Mogas A, Torrent-Sucarrat M, Crehuet R, Solé A, Giménez X, Olivella S, Bofill JM, Anglada JM. The reaction between HO and (H2O)n (n = 1,3) clusters: Reaction mechanisms and tunneling effects Theoretical Chemistry Accounts. 128: 579-592. DOI: 10.1007/S00214-010-0824-5  0.318
2010 Torrent-Sucarrat M, De Proft F, Ayers PW, Geerlings P. On the applicability of local softness and hardness. Physical Chemistry Chemical Physics : Pccp. 12: 1072-80. PMID 20094672 DOI: 10.1039/B919471A  0.345
2010 Osuna S, Torrent-Sucarrat M, Solà M, Geerlings P, Ewels CP, Lier GV. Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination Journal of Physical Chemistry C. 114: 3340-3345. DOI: 10.1021/Jp908887N  0.459
2009 Osuna S, Torrent-Sucarrat M, Ewels CP, Solà M, Geerlings P, Van Lier G. Local aromaticity of pristine and fluorinated carbon nanotubes. Journal of Nanoscience and Nanotechnology. 9: 6078-83. PMID 19908497 DOI: 10.1166/Jnn.2009.1570  0.484
2009 Torrent-Sucarrat M, Anglada JM, Luis JM. Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes. Physical Chemistry Chemical Physics : Pccp. 11: 6377-88. PMID 19809669 DOI: 10.1039/B904736K  0.388
2009 Torrent-Sucarrat M, Liu S, De Proft F. Steric effect: partitioning in atomic and functional group contributions. The Journal of Physical Chemistry. A. 113: 3698-702. PMID 19354315 DOI: 10.1021/Jp8096583  0.362
2008 Torrent-Sucarrat M, Salvador P, Solà M, Geerlings P. The hardness kernel as the basis for global and local reactivity indices. Journal of Computational Chemistry. 29: 1064-72. PMID 18044700 DOI: 10.1002/Jcc.20866  0.526
2007 Luis JM, Torrent-Sucarrat M, Christiansen O, Kirtman B. Variational calculation of static and dynamic vibrational nonlinear optical properties. The Journal of Chemical Physics. 127: 084118. PMID 17764240 DOI: 10.1063/1.2770709  0.392
2007 Borgoo A, Torrent-Sucarrat M, Proft FD, Geerlings P. Quantum similarity study of atoms: A bridge between hardness and similarity indices Journal of Chemical Physics. 126: 234104-234104. PMID 17600401 DOI: 10.1063/1.2741536  0.304
2007 Torrent-Sucarrat M, Salvador P, Geerlings P, Solà M. On the quality of the hardness kernel and the Fukui function to evaluate the global hardness. Journal of Computational Chemistry. 28: 574-83. PMID 17186480 DOI: 10.1002/Jcc.20535  0.542
2007 Torrent-Sucarrat M, Blancafort L, Duran M, Luis JM, Solà M. Chapter 3 The breakdown of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations Theoretical and Computational Chemistry. 19: 31-45. DOI: 10.1016/S1380-7323(07)80004-5  0.543
2007 Chattaraj PK, Roy DR, Geerlings P, Torrent-Sucarrat M. Local hardness: a critical account Theoretical Chemistry Accounts. 118: 923-930. DOI: 10.1007/S00214-007-0373-8  0.306
2006 Torrent-Sucarrat M, Geerlings P. Analogies and differences between two ways to evaluate the global hardness. The Journal of Chemical Physics. 125: 244101. PMID 17199334 DOI: 10.1063/1.2406072  0.352
2006 Torrent-Sucarrat M, Solà M, Toro-Labbé A. Gas-phase structures, rotational barriers, and conformational properties of hydroxyl and mercapto derivatives of cyclohexa-2,5-dienone and cyclohexa-2,5-dienthione. The Journal of Physical Chemistry. A. 110: 8901-11. PMID 16836454 DOI: 10.1021/Jp060664G  0.504
2006 Asturiol D, Duran M, Salvador P, Torrent-Sucarrat M. BSSE-free hardness profiles of hydrogen bond exchange in the hydrogen fluoride dimer International Journal of Quantum Chemistry. 106: 2910-2919. DOI: 10.1002/Qua.21116  0.36
2005 Torrent-Sucarrat M, De Proft F, Geerlings P. Stiffness and Raman intensity: a conceptual and computational DFT study. The Journal of Physical Chemistry. A. 109: 6071-6. PMID 16833943 DOI: 10.1021/Jp044150Y  0.359
2005 Torrent-Sucarrat M, Duran M, Luis JM, Solà M. Generalizing the breakdown of the maximum hardness and minimum polarizabilities principles for nontotally symmetric vibrations to non-pi-conjugated organic molecules. The Journal of Physical Chemistry. A. 109: 615-21. PMID 16833387 DOI: 10.1021/Jp0470804  0.56
2005 Torrent-Sucarrat M, Luis JM, Solà M. The breakdown of the minimum polarizability principle in vibrational motions as an indicator of the most aromatic center. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 6024-31. PMID 16047393 DOI: 10.1002/Chem.200500223  0.511
2005 Torrent-Sucarrat M, Luis JM, Kirtman B. Variational calculation of vibrational linear and nonlinear optical properties. The Journal of Chemical Physics. 122: 204108. PMID 15945714 DOI: 10.1063/1.1909031  0.415
2005 Luis JM, Torrent-Sucarrat M, Solà M, Bishop DM, Kirtman B. Calculation of Franck-Condon factors including anharmonicity: simulation of the C2H4+X2B3u<--C2H4X1A(g) band in the photoelectron spectrum of ethylene. The Journal of Chemical Physics. 122: 184104. PMID 15918691 DOI: 10.1063/1.1896362  0.496
2005 Torrent-Sucarrat M, Luis JM, Duran M, Solà M. An assessment of a simple hardness kernel approximation for the calculation of the global hardness in a series of Lewis acids and bases Journal of Molecular Structure: Theochem. 727: 139-148. DOI: 10.1016/J.Theochem.2005.02.018  0.491
2005 Torrent-Sucarrat M, Duran M, Luis JM, Solà M. Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer Journal of Chemical Sciences. 117: 549-554. DOI: 10.1007/Bf02708361  0.521
2004 Torrent-Sucarrat M, Luis JM, Duran M, Sola M. The hardness profile as a tool to detect spurious stationary points in the potential energy surface. The Journal of Chemical Physics. 120: 10914-24. PMID 15268121 DOI: 10.1063/1.1742793  0.532
2004 Torrent-Sucarrat M, Solà M, Duran M, Luis JM, Kirtman B. Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules. The Journal of Chemical Physics. 120: 6346-55. PMID 15267523 DOI: 10.1063/1.1667465  0.568
2003 Torrent-Sucarrat M, Luis JM, Duran M, Toro-Labbé A, Solà M. Relations among several nuclear and electronic density functional reactivity indexes The Journal of Chemical Physics. 119: 9393-9400. DOI: 10.1063/1.1615763  0.526
2003 Torrent-Sucarrat M, Solà M, Duran M, Luis JM, Kirtman B. Basis set and electron correlation effects on ab initio electronic and vibrational nonlinear optical properties of conjugated organic molecules The Journal of Chemical Physics. 118: 711-718. DOI: 10.1063/1.1521725  0.57
2003 Blancafort L, Torrent-Sucarrat M, Luis JM, Duran aM, Solà M. Evaluation of the Analogy between Exceptions to the Generalized Maximum Hardness Principle for Non-Totally Symmetric Vibrations and the Pseudo Jahn-Teller Effect Journal of Physical Chemistry A. 107: 7337-7339. DOI: 10.1021/Jp034557N  0.535
2002 Torrent-Sucarrat M, Luis JM, Duran M, Solà M. Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? The Journal of Chemical Physics. 117: 10561-10570. DOI: 10.1063/1.1517990  0.559
2002 Torrent-Sucarrat M, Solà M, Duran M, Luis JM, Kirtman B. Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties The Journal of Chemical Physics. 116: 5363-5373. DOI: 10.1063/1.1453953  0.562
2002 Torrent-Sucarrat M, Duran M, Solà M. Global Hardness Evaluation Using Simplified Models for the Hardness Kernel The Journal of Physical Chemistry A. 106: 4632-4638. DOI: 10.1021/Jp013249R  0.48
2001 Torrent-Sucarrat M, Luis JM, Duran M, Solà M. On the validity of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations. Journal of the American Chemical Society. 123: 7951-2. PMID 11493087 DOI: 10.1021/Ja015737I  0.524
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