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Jesús Rodríguez Otero was born in Vigo (Galicia), Spain in 1963. He studied chemistry at the University of Santiago de Compostela (USC), where he graduated with the Extraordinary Degree Award in June 1986. He completed his doctorate in 1991 under the supervision of Professor Miguel A. Ríos at the same University. He developed his doctoral studies with the support a scholarship from the Spanish Ministry of Education. These were focused to the quantum chemical study of intramolecular hydrogen bonding and proton transfer. Subsequently, he joined the teaching staff of the Department of Physical Chemistry at USC, from 1990 to 1994 as Assistant Professor, then as a Professor, and since 2019 as Full Professor, the position he currently holds.
For a year and a half (1991-92) he carried out postdoctoral research at the IMIM (Research Institute of the Hospital del Mar) of the Pompeu Fabra University (UPF), located in Barcelona (Spain), under the supervision of Professor Ferran Sanz. This research focused on the field of QSAR. The collaboration with the IMIM remained constant until 1998. Starting in 1993, he began working on the study of organic reactivity, collaborating with researchers from the USC Department of Organic Chemistry, which gave rise to fruitful theoretical-experimental work. Since 2002, his fundamental research is the study of intermolecular interactions, which play a key role in processes related to chemical and biological recognition. He is the author of about 120 publications in peer-reviewed international scientific journals and his current H-index is 27.
Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes
The PM6-FGC Method: Improved Corrections for Amines and Amides.
Electrostatic penetration effects stand at the heart of aromatic π interactions
The relative position of π-π interacting rings notably changes the nature of the substituent effect
Curvature and size effects hinder halogen bonds with extended π systems.
Endohedral alkali cations promote charge transfer transitions in complexes of C60 with [10]cycloparaphenylenes.
Size and shape effects on complexes of fullerenes with carbon nanorings: C50 and C76 as [10]CPP and [6]CPPA guests
On the Nature of σ-σ, σ-π, and π-π Stacking in Extended Systems
Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals.
Fullerene size controls the selective complexation of [11]CPP with pristine and endohedral fullerenes.
Dissecting the concave–convex π-π interaction in corannulene and sumanene dimers: SAPT(DFT) analysis and performance of DFT dispersion-corrected methods.
Assessment of electronic transitions involving intermolecular charge transfer in complexes formed by fullerenes and donor-acceptor nanohoops.
σ-σ, σ-π, and π-π Stacking Interactions between Six-Membered Cyclic Systems. Dispersion Dominates and Electrostatics Commands.
A theoretical study of complexes formed between cations and curved aromatic systems: Electrostatics does not always control cation-π interaction.
A theoretical study of complexes between fullerenes and concave receptors with interest in photovoltaics.
Comment on «theoretical studies on a carbonaceous molecular bearing: Association thermodynamics and dual-mode rolling dynamics» by H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono, Chem. Sci., 2015, 6, 2746.
Carbon-nanorings ([10]cpp and [6]cppa) as fullerene (C60and C70) receptors: A comprehensive dispersion-corrected DFT study.
A through-space description of substituent effects leads to inaccurate molecular electrostatic potentials and cation ⋯ π interactions in extended aromatic systems.
Tailoring buckybowls for fullerene recognition. A dispersion-corrected DFT study.
On the interaction between the imidazolium cation and aromatic amino acids. A computational study.
Department of Physical Chemistry
Faculty of Chemistry
University of Santiago de Compostela
Spain