Oliva Enrich, José María Autor
Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds
- López-Sánchez R.
- Ferrer M.
- Oliva-Enrich J.M.
- Alkorta I.
- Elguero J.
ChemPhysChem - 2/4/2024
- CiteScore: 4,6 (2023)
- SJR: 0,623 (2023)
- SNIP: 0,644 (2023)
A multi-FLP approach for CO<inf>2</inf> capture: investigating nitrogen, boron, phosphorus and aluminium doped nanographenes and the influence of a sodium cation
- Ferrer M.
- Alkorta I.
- Elguero J.
- Oliva-Enrich J.M.
Physical Chemistry Chemical Physics - 27/3/2024
- CiteScore: 5,5 (2023)
- SJR: 0,721 (2023)
- SNIP: 0,803 (2023)
(Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs. Interactions and CO<inf>2</inf>-Sequestration
- Ferrer M.
- Alkorta I.
- Elguero J.
- Oliva-Enrich J.M.
ChemPhysChem - 15/3/2024
- CiteScore: 4,6 (2023)
- SJR: 0,623 (2023)
- SNIP: 0,644 (2023)
Capture of CO<inf>2</inf> by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme
- Ferrer M.
- Alkorta I.
- Elguero J.
- Oliva-Enrich J.M.
Journal of Physical Chemistry A - 22/2/2024
- CiteScore: 5,2 (2023)
- SJR: 0,604 (2023)
- SNIP: 0,838 (2023)
Striking Borane Planarization in the Thermal Rearrangement (η<sup>5</sup>-C<inf>5</inf>H<inf>5</inf>)Fe(η<sup>3</sup>-B<inf>5</inf>H<inf>10</inf>)→(η<sup>5</sup>-C<inf>5</inf>H<inf>5</inf>)Fe(η<sup>5</sup>-B<inf>5</inf>H<inf>10</inf>)
- Ferrer M.
- Alkorta I.
- Elguero J.
- Barrios-Llacuachaqui J.R.
- Tiznado W.
- Oliva-Enrich J.M.
Chemistry - A European Journal - 1/1/2024
- CiteScore: 7,9 (2023)
- SJR: 1,058 (2023)
- SNIP: 0,865 (2023)
A theoretical study of the reaction of borata derivatives of benzene, anthracene and pentacene with CO<inf>2</inf>
- Ferrer M.
- Alkorta I.
- Elguero J.
- Oliva-Enrich J.M.
Physical chemistry chemical physics : PCCP - 23/8/2023
- CiteScore: 5,9 (2022)
- SJR: 0,824 (2022)
- SNIP: 0,906 (2022)
A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60
- Oña O.B.
- Ferrer M.
- Alcoba D.R.
- Torre A.
- Lain L.
- Massaccesi G.E.
- Klein D.J.
- Alkorta I.
- Elguero J.
- Oliva-Enrich J.M.
Computational and Theoretical Chemistry - 1/2/2023
- CiteScore: 3,4 (2022)
- SJR: 0,383 (2022)
- SNIP: 0,633 (2022)
- Scopus
- ORCID
- Web of Science
Reactivity of a model of B3P3-doped nanographene with up to three CO2 molecules
- Ferrer M.
- Alkorta I.
- Elguero J.
- Oliva-Enrich J.M.
Scientific Reports - 1/12/2023
- CiteScore: 7,5 (2022)
- SJR: 0,973 (2022)
- SNIP: 1,312 (2022)
- Scopus
- ORCID
- Web of Science
Borane derivatives of five-membered N-heterocyclic rings as frustrated Lewis pairs: activation of CO2
- Ferrer M.
- Alkorta I.
- Oliva-Enrich J.M.
- Elguero J.
Structural Chemistry - 1/1/2023
- CiteScore: 3,5 (2022)
- SJR: 0,285 (2022)
- SNIP: 0,548 (2022)
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C2B9H11)2]Cs
- José F. Marco
- JUAN Z DAVALOS
- Drahomír Hnyk
- Josef Holub
- Ofelia B. Oña
- Diego R. Alcoba
- Maxime Ferrer
- Jose Elguero
- LUIS LAIN PEREZ
- Alicia Torre
- Josep M. Oliva-Enrich
ACS Omega - 7/04/2023
- CiteScore: 5,9 (2022)
- SJR: 0,694 (2022)
- SNIP: 0,941 (2022)
- Scopus
- ORCID
- Web of Science
Progress in Electronic-Structure Based Computational Methods: From Small Molecules to Large Molecular Systems of Biological Significance
- Laimutis Bytautas
- Douglas J. Klein
- Demeter Tzeli
- Maxime Ferrer
- José Elguero
- Ibon Alkorta
- Josep M. Oliva-Enrich
Frontiers in Computational Chemistry: Volume 6 - 7/09/2022
10.2174/9789815036848122060008
- ORCID
Quantum Chemistry of Excited States in Polyhedral Boranes
- Oliva J.
- Francés-Monerris A.
- Roca-Sanjuán D.
Challenges and Advances in Computational Chemistry and Physics - 1/1/2015
- CiteScore: 1,7 (2020)
- Scopus
- ORCID
Energy Landscapes in Boron Chemistry: Bottom-Top Approach Toward Design of Novel Molecular Architectures
- Oliva J.
Advances in Quantum Chemistry - 1/1/2012
10.1016/b978-0-12-396498-4.00004-1
- Factor Impacto JCR: 2,161 (2012)
- CiteScore: 2 (2020)
- SJR: 0,704 (2012)
- SNIP: 1,7 (2012)
- Impacto JCR a 5 años: 1,694
- Categorías JCR: CHEMISTRY, PHYSICAL
- Scopus
- ORCID
Non-relativistic Hartree-Fock energy spectra in icosahedral symmetry molecules with electronic configuration h(2)
- Josep M. Oliva-Enrich
Proceedings of the 5th Wigner Symposium - 07/1998
- ORCID
Conformational analysis from the viewpoint of molecular similarity
- Josep M. Oliva-Enrich
Advances in Molecular Similarity - 1996
- ORCID
Este autor no tiene conferencias.
Este autor no tiene patentes.
A Quantum-Chemical Study of Boro-Fullerenes B<sub>60</sub>H<sub>60 </sub>, B<sub>60</sub>F<sub>30</sub>H<sub>30</sub> , and B<sub>60</sub>F<sub>60</sub>
10.20944/preprints202204.0115.v1
- ORCID
Índice h
Scopus: 20
Web of Science: 17
Índice i10
Scopus: 37
Web of Science: 27
Perfiles de autor
-
ORCID
-
Scopus Author ID
-
Dialnet id
Proyectos de investigación en la UAL
-
Acrónimo MAT2009-14234-C03-02Desde: 1 de enero de 2010Hasta: 1 de julio de 2011Financiado por: MECImporte de financiación: 14.520,00 EURRol: Investigador
-
Acrónimo MAT2006-13646-C03-02Desde: 1 de octubre de 2006Hasta: 30 de marzo de 2010Financiado por: MECImporte de financiación: 118.580,00 EURRol: Investigador