Oliva Enrich, José María Autor
Ab initio predictions of ferroelectric ternary fluorides with the LiNbO<sub>3</sub> structure
- Claeyssens F.
- Oliva J.M.
- Sánchez-Portal D.
- Allan N.L.
Chemical Communications - 1/1/2003
- CiteScore: 9,4 (2020)
- SJR: 1,828 (2003)
- SNIP: 1,239 (2003)
- Scopus
- ORCID
Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, Y = Cl, Br, and I): molecules of interest in the Earth's atmosphere
- Sitkiewicz S.
- Rivero D.
- Oliva-Enrich J.
- Saiz-Lopez A.
- Roca-Sanjuán D.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1/1/2019
- Cuartil SJR: Q1
- Factor Impacto JCR: 3,43 (2019)
- CiteScore: 6,1 (2020)
- SJR: 1,143 (2019)
- SNIP: 0,973 (2019)
- Impacto JCR a 5 años: 3,735
- Categorías JCR: CHEMISTRY, PHYSICAL
- Categorías SJR: Physical and Theoretical Chemistry (Q1); Physics and Astronomy (miscellaneous) (Q1)
- Scopus
- ORCID
- Web of Science
Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphere
- Sitkiewicz S.P.
- Oliva J.M.
- Dávalos J.Z.
- Notario R.
- Saiz-Lopez A.
- Alcoba D.R.
- Oña O.B.
- Roca-Sanjuán D.
JOURNAL OF CHEMICAL PHYSICS - 28/12/2016
- Factor Impacto JCR: 2,965 (2016)
- CiteScore: 5,5 (2020)
- SJR: 1,486 (2016)
- SNIP: 1,002 (2016)
- Impacto JCR a 5 años: 2,907
- Categorías JCR: CHEMISTRY, PHYSICAL
- Scopus
- ORCID
- Web of Science
Acidities of closo -1-COOH-1,7-C<sub>2</sub>B<sub>10</sub>H<sub>11</sub> and amino acids based on icosahedral carbaboranes
- Dávalos J.Z.
- González J.
- Ramos R.
- Hnyk D.
- Holub J.
- Santaballa J.A.
- Canle-L. M.
- Oliva J.M.
Journal of Physical Chemistry A - 17/4/2014
- Factor Impacto JCR: 2,693 (2014)
- CiteScore: 4,5 (2020)
- SJR: 1,159 (2014)
- SNIP: 1,058 (2014)
- Impacto JCR a 5 años: 2,713
- Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
- Scopus
- ORCID
A computational study of the interaction of light with silver nanowires of different eccentricity
- Oliva J.
- Gray S.
Chemical Physics Letters - 31/8/2006
- CiteScore: 3,7 (2020)
- SJR: 1,5 (2006)
- SNIP: 1,102 (2006)
- Scopus
- ORCID
A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranes
- Oliva J.
- Serrano-ANDRÉS L.
Journal of Computational Chemistry - 1/3/2006
- CiteScore: 5,4 (2020)
- SJR: 2,341 (2006)
- SNIP: 1,646 (2006)
- 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
A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene
- Schmalz T.
- Serrano-Andrés L.
- Sauri V.
- Merchán M.
- Oliva J.
Journal of Chemical Physics - 21/11/2011
- Factor Impacto JCR: 3,333 (2011)
- CiteScore: 5,5 (2020)
- SJR: 1,845 (2011)
- SNIP: 1,232 (2011)
- Impacto JCR a 5 años: 3,238
- Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
- Scopus
- ORCID
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: 5,9 (2022)
- SJR: 0,824 (2022)
- SNIP: 0,906 (2022)
Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations
- Fradera X.
- Amat L.
- Torrent M.
- Mestres J.
- Constans P.
- Besalú E.
- Martí J.
- Simon S.
- Lobato M.
- Oliva J.
- Luis J.
- Andrés J.
- Solà M.
- Carbó R.
- Duran M.
Journal of Molecular Structure: THEOCHEM - 18/11/1996
- Scopus
- ORCID
- Web of Science
Conformational analysis from the viewpoint of molecular similarity
- Josep M. Oliva-Enrich
Advances in Molecular Similarity - 1996
- 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
Hartree-fock states energy spectra for icosahedral open-shell structures with electronic configurations h(N) (N=1-9)
- Josep M. Oliva-Enrich
Universitat de Girona - 1994
- 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
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
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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
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
Índice h
Scopus: 20
Web of Science: 17
Índice i10
Scopus: 37
Web of Science: 27
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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