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Oliva Enrich, José María Autor

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

10.1016/s0022-2860(00)00646-3

Número de citas: 28 (Web of Science) 27 (Scopus)
  • CiteScore: 4,6 (2020)
  • SJR: 0,574 (2000)
  • SNIP: 0,751 (2000)

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

10.1007/s10910-015-0584-5

Número de citas: 6 (Web of Science) 5 (Scopus)
  • 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

Enumeration of polycarborane isomers: Especially dicarboranes

  • Rosenfeld V.R.
  • Klein D.J.
  • Oliva J.M.

Journal of Mathematical Chemistry - 1/8/2012

10.1007/s10910-012-0017-7

Número de citas: 1 (Scopus)
  • 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

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

10.1002/jcc.20359

Número de citas: 18 (Scopus)
  • CiteScore: 5,4 (2020)
  • SJR: 2,341 (2006)
  • SNIP: 1,646 (2006)

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

10.1021/ct700042z

Número de citas: 15 (Scopus)
  • CiteScore: 9,3 (2020)
  • SJR: 2,462 (2007)
  • SNIP: 1,448 (2007)

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

10.1021/ct800150h

Número de citas: 26 (Scopus)
  • CiteScore: 9,3 (2020)
  • SJR: 2,486 (2008)
  • SNIP: 1,201 (2008)

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.
... Ver más Contraer

JOURNAL OF CHEMICAL PHYSICS - 28/12/2016

10.1063/1.4971856

Número de citas: 17 (Web of Science) 15 (Scopus)
  • 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

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

10.1063/1.475183

Número de citas: 12 (Scopus)
  • CiteScore: 5,5 (2020)

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

10.1063/1.3659294

Número de citas: 12 (Scopus)
  • 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

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

10.1063/1.473460

Número de citas: 28 (Scopus)
  • CiteScore: 5,5 (2020)

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

10.1142/3785

  • 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
... Ver más Contraer

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

10.1007/978-3-319-22282-0_4

Número de citas: 6 (Scopus)
  • CiteScore: 1,7 (2020)

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

Número de citas: 9 (Scopus)
  • 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

Conformational analysis from the viewpoint of molecular similarity

  • Josep M. Oliva-Enrich

Advances in Molecular Similarity - 1996

10.1016/s1873-9776(96)80009-5

  • ORCID

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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

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

Número de citas: 1 (Web of Science)

Scopus: 20

Web of Science: 17

Scopus: 37

Web of Science: 27

Última actualización de los datos: 27/04/24 5:22
Próxima recolección programada: 4/05/24 3:00