Oliva Enrich, José María Autor
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 (2022)
- SJR: 0,675 (2022)
- SNIP: 0,841 (2022)
Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds
- López-Sánchez R.
- Ferrer M.
- Oliva-Enrich J.M.
- Alkorta I.
- Elguero J.
ChemPhysChem - 1/1/2024
- CiteScore: 5,7 (2022)
- SJR: 0,749 (2022)
- SNIP: 0,755 (2022)
(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 - 1/1/2024
- CiteScore: 5,7 (2022)
- SJR: 0,749 (2022)
- SNIP: 0,755 (2022)
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
Anion complexes of diborane derivatives inserted to benzene
- Lopez-Sanchez, Ruben
- Oliva-Enrich, Josep M.
- Alkorta, Ibon
- Elguero, Jose
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - 1/1/2022
- Factor Impacto JCR: 2,2 (2022)
- CiteScore: 3,9 (2021)
- SJR: 0,463 (2021)
- SNIP: 0,738 (2021)
- Impacto JCR a 5 años: 2
- Categorías JCR: QUANTUM SCIENCE & TECHNOLOGY
- Scopus
- ORCID
- Web of Science
Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO2
- Ferrer M.
- Alkorta I.
- Elguero J.
- Oliva-Enrich J.M.
CHEMPHYSCHEM - 1/1/2022
- Factor Impacto JCR: 2,9 (2022)
- CiteScore: 5,8 (2021)
- SJR: 0,86 (2021)
- SNIP: 0,777 (2021)
- Impacto JCR a 5 años: 3
- Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
- 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
Composite-system models
- Klein D.J.
- Oliva J.M.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - 1/12/2010
- Factor Impacto JCR: 1,302 (2010)
- CiteScore: 3,4 (2020)
- SJR: 0,636 (2010)
- SNIP: 0,706 (2010)
- Impacto JCR a 5 años: 1,305
- Categorías JCR: MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
- Scopus
- ORCID
Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks
- Oliva J.
- Klein D.
- Von Ragué Schleyer P.
- Serrano-Andrés L.
PURE AND APPLIED CHEMISTRY - 11/5/2009
- Factor Impacto JCR: 2,289 (2009)
- CiteScore: 3,6 (2020)
- SJR: 1,19 (2009)
- SNIP: 1,038 (2009)
- Impacto JCR a 5 años: 2,757
- Categorías JCR: CHEMISTRY, MULTIDISCIPLINARY
- Scopus
- ORCID
Binary Phosphorus-Carbon Compounds: The Series P4C3+8n
- Claeyssens F.
- Oliva J.
- May P.
- Allan N.
International Journal of Quantum Chemistry - 15/11/2003
- CiteScore: 3,4 (2020)
- SJR: 0,834 (2003)
- SNIP: 0,778 (2003)
- Scopus
- ORCID
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
Erratum: Author Correction: Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition (Nature communications (2018) 9 1 (4796))
- Saiz-Lopez A.
- Sitkiewicz S.P.
- Roca-Sanjuán D.
- Oliva-Enrich J.M.
- Dávalos J.Z.
- Notario R.
- Jiskra M.
- Xu Y.
- Wang F.
- Thackray C.P.
- Sunderland E.M.
- Jacob D.J.
- Travnikov O.
- Cuevas C.A.
- Acuña A.U.
- Rivero D.
- Plane J.M.C.
- Kinnison D.E.
- Sonke J.E.
Nature Communications - 10/2/2022
- Factor Impacto JCR: 16,6 (2022)
- Impacto JCR a 5 años: 17
- Categorías JCR: MULTIDISCIPLINARY SCIENCES
- Scopus
- ORCID
- Web of Science
Proton affinities of amino group functionalizing 2D and 3D boron compounds
- Oliva-Enrich, J. M.
- Humbel, S.
- Davalos, J. Z.
- Holub, J.
- Hnyk, D.
AFINIDAD - 2018
Erratum to: Toward (car)borane-based molecular magnets (Theor Chem Acc, 134, 9, (2015), 10.1007/s00214-014-1611-5)
- Oliva J.
- Alcoba D.
- Oña O.
- Torre A.
- Lain L.
- Michl J.
THEORETICAL CHEMISTRY ACCOUNTS - 1/4/2016
- Factor Impacto JCR: 1,89 (2016)
- CiteScore: 2,6 (2020)
- SJR: 0,527 (2016)
- SNIP: 0,588 (2016)
- Impacto JCR a 5 años: 1,839
- Categorías JCR: CHEMISTRY, PHYSICAL
- Scopus
- ORCID
Erratum: Solid phosphorus carbide (Chemical Communications (2002) (2494))
- Claeyssens F.
- Allan N.L.
- May P.W.
- Ordejón P.
- Oliva J.M.
Chemical Communications - 21/8/2003
- CiteScore: 9,4 (2020)
- SJR: 1,828 (2003)
- SNIP: 1,239 (2003)
- Scopus
- ORCID
Additions and corrections: Complexation of stable carbenes with alkali metals (Chemical Communications (1999) (241))
- Alder R.W.
- Blake M.E.
- Bortolotti C.
- Bufali S.
- Butts C.P.
- Linehan E.
- Oliva J.M.
- Orpen A.G.
- Quayle M.
Chemical Communications - 7/6/1999
- CiteScore: 9,4 (2020)
- SJR: 1,777 (1999)
- SNIP: 1,213 (1999)
- Scopus
- ORCID
Índice h
Scopus: 20
Web of Science: 17
Índice i10
Scopus: 37
Web of Science: 27
Perfiles de autor
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ORCID
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Dialnet id
Proyectos de investigación en la UAL
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Acrónimo MAT2009-14234-C03-02Desde: 1 de enero de 2010Hasta: 1 de julio de 2011Financiado por: MECImporte de financiación: 14.520,00 EURRol: Investigador
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Acrónimo MAT2006-13646-C03-02Desde: 1 de octubre de 2006Hasta: 30 de marzo de 2010Financiado por: MECImporte de financiación: 118.580,00 EURRol: Investigador