Oliva Enrich, José María Autor
Study of the electronic states of the allyl radical using spin-coupled valence bond theory
- Oliva J.M.
- Gerratt J.
- Cooper D.L.
- Karadakov P.B.
- Raimondi M.
Journal of Chemical Physics - 1/3/1997
- CiteScore: 5,5 (2020)
- Scopus
- ORCID
Conrotatory and disrotatory pathways in the electrocyclic isomerization of cyclobutene to cis-butadiene: The spin-coupled viewpoint
- Oliva J.M.
- Gerratt J.
- Karadakov P.B.
- Cooper D.L.
Journal of Chemical Physics - 1/12/1997
- CiteScore: 5,5 (2020)
- 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
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
What electronic structures and geometries of carborane mono- and ortho-, meta-, and para-diradicals are preferred?
- Serrano-Andrés L.
- Klein D.J.
- Von Ragué Schleyer P.
- Oliva J.M.
Journal of Chemical Theory and Computation - 1/8/2008
- CiteScore: 9,3 (2020)
- SJR: 2,486 (2008)
- SNIP: 1,201 (2008)
- Scopus
- ORCID
What is the limit of atom encapsulation for icosahedral carboranes?
- Manero V.
- Oliva J.
- Serrano-Andrés L.
- Klein D.
Journal of Chemical Theory and Computation - 1/7/2007
- CiteScore: 9,3 (2020)
- SJR: 2,462 (2007)
- SNIP: 1,448 (2007)
- 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
Enumeration of polycarborane isomers: Especially dicarboranes
- Rosenfeld V.R.
- Klein D.J.
- Oliva J.M.
Journal of Mathematical Chemistry - 1/8/2012
- Factor Impacto JCR: 1,226 (2012)
- CiteScore: 3,4 (2020)
- SJR: 0,53 (2012)
- SNIP: 0,952 (2012)
- Impacto JCR a 5 años: 1,166
- Categorías JCR: CHEMISTRY, MULTIDISCIPLINARY
- Scopus
- ORCID
Pentagonal chains and annuli as models for designing nanostructures from cages
- Rosenfeld V.
- Dobrynin A.
- Oliva J.
- Rué J.
JOURNAL OF MATHEMATICAL CHEMISTRY - 1/3/2016
- Factor Impacto JCR: 1,308 (2016)
- CiteScore: 3,4 (2020)
- SJR: 0,343 (2016)
- SNIP: 0,661 (2016)
- Impacto JCR a 5 años: 1,001
- Categorías JCR: MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
- Scopus
- ORCID
- Web of Science
Electronic structure and assignment of experimental 11B nuclei NMR signals in the ortho-carborane 1,2-(SH)2-1,2-C2B10H10 by ab initio calculations
- Oliva J.M.
- Viñas C.
Journal of Molecular Structure - 12/12/2000
- CiteScore: 4,6 (2020)
- SJR: 0,574 (2000)
- SNIP: 0,751 (2000)
- 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
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
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
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
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Este autor no tiene patentes.
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
Perfiles de autor
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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