Eloy Ramos-Cordoba

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Eduard MatitoIkerbasque Professor at Donostia International Physics Center (DIPC)Verified email at dipc.org
Pedro SalvadorDepartment of Chemistry, Institut de Quimica Computacional i Catalisi, Universitat de GironaVerified email at udg.edu
Irene Casademont-ReigKimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), and Donostia International PhysicsVerified email at ehu.eus
Mario PirisDIPC & UPV/EHU & IKERBASQUEVerified email at ehu.eus
Xabier LopezUPV/EHUVerified email at ehu.eus
Mireia Via-NadalUniversitat de Barcelona (UB)Verified email at ub.edu
Sebastian P. SitkiewiczWroclaw Centre of Networking and Supercomputing,Wroclaw Wroclaw University of Science and TechnologyVerified email at pwr.edu.pl
Josep M. LuisInstitute of Computational Chemistry, Department of Chemistry, University of GironaVerified email at udg.edu
Verònica Postils RibóUniversité Catholique de Louvain (UCL) - Institute of Condensed Matter and Nanosciences (MOST)Verified email at uclouvain.be
Daniel LambrechtFlorida Gulf Coast University & University of PittsburghVerified email at fgcu.edu
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyVerified email at cchem.berkeley.edu
Miquel Solà Puig (ORCID: 0000-0002-...University of Girona / Universitat de Girona (GRID grid.5319.e / ROR 01xdxns91)Verified email at udg.edu
Raúl Guerrero-AvilésTecnalia: Research & InnovationVerified email at tecnalia.com
Markus ReiherProfessor of Theoretical Chemistry, ETH ZurichVerified email at phys.chem.ethz.ch
Jon Mattin MatxainUniversity of the Basque Country UPV/EHU and Donostia International Physics Center DIPCVerified email at ehu.eus
Jesus M. Ugalde. Prof. of ChemistryEuskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center (DIPC)Verified email at ehu.eus
Ferran FeixasInstitut de Química Computacional i Catàlisi (IQCC). University of Girona (Spain)Verified email at udg.edu
Jon UrangaUniversity of the Basque Country (UPV/EHU)Verified email at ehu.eus
Jon MujikaUniversity of the Basque CountryVerified email at ehu.es
Iker Ortiz de Luzuriaga LopezPhD at CICnanoGUNEVerified email at nanogune.eu

Eloy Ramos-Cordoba

Institute for Advanced Chemistry of Catalonia (IQAC-CSIC)

Verified email at iqac.csic.es - Homepage

Computational Chemistry Quantum Chemistry Theoretical Chemistry


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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021	907	2021
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	138	2019
Separation of dynamic and nondynamic correlation E Ramos-Cordoba, P Salvador, E Matito Physical Chemistry Chemical Physics 18 (34), 24015-24023, 2016	119	2016
Oxidation states from wave function analysis E Ramos-Cordoba, V Postils, P Salvador Journal of chemical theory and computation 11 (4), 1501-1508, 2015	115	2015
Charge-transfer and the hydrogen bond: Spectroscopic and structural implications from electronic structure calculations E Ramos-Cordoba, DS Lambrecht, M Head-Gordon Faraday discussions 150, 345-362, 2011	86	2011
Communication: an approximation to Bader's topological atom P Salvador, E Ramos-Cordoba The Journal of Chemical Physics 139 (7), 2013	73	2013
Toward a unique definition of the local spin E Ramos-Cordoba, E Matito, I Mayer, P Salvador Journal of chemical theory and computation 8 (4), 1270-1279, 2012	70	2012
Local descriptors of dynamic and nondynamic correlation E Ramos-Cordoba, E Matito Journal of Chemical Theory and Computation 13 (6), 2705-2711, 2017	67	2017
How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring I Casademont‐Reig, R Guerrero‐Avilés, E Ramos‐Cordoba, ... Angewandte Chemie 133 (45), 24282-24290, 2021	63	2021
How do the Hückel and baird rules fade away in annulenes? I Casademont-Reig, E Ramos-Cordoba, M Torrent-Sucarrat, E Matito Molecules 25 (3), 711, 2020	54	2020
Comprehensive benchmarking of density matrix functional approximations M Rodríguez-Mayorga, E Ramos-Cordoba, M Via-Nadal, M Piris, E Matito Physical Chemistry Chemical Physics 19 (35), 24029-24041, 2017	48	2017
Local spin analysis and chemical bonding E Ramos‐Cordoba, P Salvador, M Reiher Chemistry–A European Journal 19 (45), 15267-15275, 2013	37	2013
Local spins: improved Hilbert-space analysis E Ramos-Cordoba, E Matito, P Salvador, I Mayer Physical Chemistry Chemical Physics 14 (44), 15291-15298, 2012	36	2012
The atomic orbitals of the topological atom E Ramos-Cordoba, P Salvador, I Mayer The Journal of Chemical Physics 138 (21), 2013	35	2013
H4: A challenging system for natural orbital functional approximations E Ramos-Cordoba, X Lopez, M Piris, E Matito The Journal of chemical physics 143 (16), 2015	33	2015
Singling out dynamic and nondynamic correlation M Via-Nadal, M Rodríguez-Mayorga, E Ramos-Cordoba, E Matito The Journal of Physical Chemistry Letters 10 (14), 4032-4037, 2019	28	2019
Diradical character from the local spin analysis E Ramos-Cordoba, P Salvador Physical Chemistry Chemical Physics 16 (20), 9565-9571, 2014	27	2014
Bonding description of the Harpoon mechanism M Rodríguez-Mayorga, E Ramos-Cordoba, P Salvador, M Solà, E Matito Molecular Physics 114 (7-8), 1345-1355, 2016	23	2016
Reply to the Correspondence on “How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring” I Casademont‐Reig, L Soriano‐Agueda, E Ramos‐Cordoba, ... Angewandte Chemie International Edition 61 (36), e202206836, 2022	20	2022
Two new constraints for the cumulant matrix E Ramos-Cordoba, P Salvador, M Piris, E Matito The Journal of Chemical Physics 141 (23), 2014	20	2014

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