Roberto Álvarez Boto

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Julia Contreras-GarcíaCNRS & Sorbonne UniversitéAdresse e-mail validée de lct.jussieu.fr
Jean-Philip PiquemalDistinguished Professor of Theoretical Chemistry, Sorbonne UniversitéAdresse e-mail validée de sorbonne-universite.fr
Rubén LaplazaLCMD EPFLAdresse e-mail validée de epfl.ch
Francesca PeccatiCIC BioGUNEAdresse e-mail validée de cicbiogune.es
madayProfesseur de mathématiques appliquées, Université Pierre et Marie Curie, Laboratoire J.-L. LionsAdresse e-mail validée de ann.jussieu.fr
Chaoyu QUANSchool of Science and Engineering, Chinese University of Hong Kong (Shenzhen)Adresse e-mail validée de cuhk.edu.cn
Julien TiernyFrench National Centre for Scientific Research, Sorbonne UniversityAdresse e-mail validée de sorbonne-universite.fr
Manuel Melle-FrancoPrincipal Researcher, CICECO, Chemistry Department , University of AveiroAdresse e-mail validée de ua.pt
Ángel Martín PendásProfesor de Química Física (UOV)Adresse e-mail validée de uniovi.es
Henry S. RzepaEmeritus Professor of Computational Chemistry, Imperial College LondonAdresse e-mail validée de imperial.ac.uk
Alan ArmstrongProfessor of Chemistry, Imperial College LondonAdresse e-mail validée de imperial.ac.uk
Dr Paul DingwallLecturer in Physical Organic Chemistry, Queen's University BelfastAdresse e-mail validée de qub.ac.uk
Igor RevaResearcher, University of CoimbraAdresse e-mail validée de qui.uc.pt
Ricardo Ortiz CanoPost-Doc CICECOAdresse e-mail validée de ua.es
Juan-Carlos Sancho-García (ORCID:...Department of Physical Chemistry (University of Alicante)Adresse e-mail validée de ua.es
Joaquín Fernández RossierResearcher, International Iberian Nanotechnology LaboratoryAdresse e-mail validée de inl.int
Gabriel MerinoApplied Physics Department, Cinvestav, Merida. MexicoAdresse e-mail validée de cinvestav.mx

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Roberto Álvarez Boto

Donostia International Physics Center (DIPC)

Adresse e-mail validée de ehu.eus

chemical bonding non-covalent interactions quantum chemistry density functional theory SERS


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
NCIPLOT4: fast, robust, and quantitative analysis of noncovalent interactions RA Boto, F Peccati, R Laplaza, C Quan, A Carbone, JP Piquemal, ... Journal of Chemical Theory and Computation 16 (7), 4150-4158, 2020	234	2020
The Houk–List transition states for organocatalytic mechanisms revisited A Armstrong, RA Boto, P Dingwall, J Contreras-Garcia, MJ Harvey, ... Chemical Science 5 (5), 2057-2071, 2014	193	2014
A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry? J Contreras-García, RA Boto, F Izquierdo-Ruiz, I Reva, T Woller, M Alonso Theoretical Chemistry Accounts 135, 1-14, 2016	167	2016
Interpretation of the reduced density gradient RA Boto, J Contreras-García, J Tierny, JP Piquemal Molecular Physics 114 (7-8), 1406-1414, 2016	164	2016
Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds RA Boto, JP Piquemal, J Contreras-García Theoretical Chemistry Accounts 136, 1-9, 2017	140	2017
Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of Computational Chemistry 40 (26), 2248-2283, 2019	136	2019
NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient R Laplaza, F Peccati, R A. Boto, C Quan, A Carbone, JP Piquemal, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1497, 2021	116	2021
Characterizing molecular interactions in chemical systems D Günther, RA Boto, J Contreras-Garcia, JP Piquemal, J Tierny IEEE transactions on visualization and computer graphics 20 (12), 2476-2485, 2014	114	2014
Exchange rules for diradical π-conjugated hydrocarbons R Ortiz, RA Boto, N Garcia-Martinez, JC Sancho-Garcia, M Melle-Franco, ... Nano Letters 19 (9), 5991-5997, 2019	99	2019
One‐electron images in real space: Natural adaptive orbitals M Menéndez, R Alvarez Boto, E Francisco, A Martin Pendas Journal of computational chemistry 36 (11), 833-843, 2015	69	2015
A complete NCI perspective: from new bonds to reactivity C Narth, Z Maroun, RA Boto, R Chaudret, ML Bonnet, JP Piquemal, ... Applications of Topological Methods in Molecular Chemistry, 491-527, 2016	65	2016
How strong are the metallocene–metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene A Vargas-Caamal, S Pan, F Ortiz-Chi, JL Cabellos, RA Boto, ... Physical Chemistry Chemical Physics 18 (1), 550-556, 2016	53	2016
A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants E Francisco, AM Pendás, M García-Revilla, RÁ Boto Computational and Theoretical Chemistry 1003, 71-78, 2013	51	2013
Singlet Fission in Pyrene‐Fused Azaacene Dimers JP Mora‐Fuentes, I Papadopoulos, D Thiel, R Álvarez‐Boto, ... Angewandte Chemie 132 (3), 1129-1133, 2020	36	2020
Addressing molecular optomechanical effects in nanocavity-enhanced Raman scattering beyond the single plasmonic mode Y Zhang, R Esteban, RA Boto, M Urbieta, X Arrieta, CX Shan, S Li, ... Nanoscale 13 (3), 1938-1954, 2021	34	2021
NCIPLOT4: A new step towards a fast quantification of noncovalent interactions R Boto, F Peccati, 矇nLaplazaRub, A Carbone, JP Piquemal, Y Maday	20	2020
Steric clash in real space: biphenyl revisited R Laplaza, RA Boto, J Contreras-García, MM Montero-Campillo Physical Chemistry Chemical Physics 22 (37), 21251-21256, 2020	20	2020
The role of dispersion forces in metal-supported self-assembled monolayers RA Boto, J Contreras-García, M Calatayud Computational and Theoretical Chemistry 1053, 322-327, 2015	16	2015
Extracting quantitative information at quantum mechanical level from noncovalent interaction index analyses EK Wieduwilt, RA Boto, G Macetti, R Laplaza, J Contreras-García, ... Journal of Chemical theory and Computation 19 (3), 1063-1079, 2023	8	2023
, K. Szalewicz, V. Tognetti, F. Weinhold and É.-L. Zins J Andrés, PW Ayers, RA Boto, R Carbó-Dorca, H Chermette, J Cioslowski, ... J. Comput. Chem 40, 2248-2283, 2019	8	2019

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