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Oliva Enrich, José María Autor

Composite-system models

  • Klein D.J.
  • Oliva J.M.

International Journal of Quantum Chemistry - 1/12/2010

10.1002/qua.22830

Número de citas: 2 (Scopus)
  • 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

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)
Open Access

Design of carborane molecular architectures via electronic structure computations

  • Oliva J.
  • Serrano-Andrés L.
  • Klein D.
  • Schleyer P.
  • Michl J.

INTERNATIONAL JOURNAL OF PHOTOENERGY - 1/12/2009

10.1155/2009/292393

Número de citas: 27 (Web of Science) 19 (Scopus)
  • Factor Impacto JCR: 1,494 (2009)
  • CiteScore: 3,8 (2020)
  • SJR: 0,327 (2009)
  • SNIP: 0,489 (2009)
  • Impacto JCR a 5 años: 1,5
  • Categorías JCR: ENERGY & FUELS

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 - 1/01/2009

10.1351/pac-con-08-09-18

Número de citas: 28 (Scopus)
  • 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
Open Access

Determination of exchange coupling constants in linear polyradicals by means of local spins

  • Oña O.
  • Alcoba D.
  • Torre A.
  • Lain L.
  • Massaccesi G.
  • Oliva-Enrich J.

Theoretical Chemistry Accounts - 1/3/2017

10.1007/s00214-017-2059-1

Número de citas: 3 (Scopus)
  • Cuartil SJR: Q2
  • Factor Impacto JCR: 1,545 (2017)
  • CiteScore: 2,6 (2020)
  • SJR: 0,564 (2017)
  • SNIP: 0,559 (2017)
  • Impacto JCR a 5 años: 1,707
  • Categorías JCR: CHEMISTRY, PHYSICAL
  • Categorías SJR: Physical and Theoretical Chemistry (Q2)

Determination of heisenberg exchange coupling constants in clusters with magnetic sites: A local spin approach

  • Alcoba D.R.
  • Torre A.
  • Lain L.
  • Oña O.B.
  • Oliva J.M.

International Journal of Quantum Chemistry - 15/7/2014

10.1002/qua.24698

Número de citas: 3 (Scopus)
  • Factor Impacto JCR: 1,432 (2014)
  • CiteScore: 3,4 (2020)
  • SJR: 0,526 (2014)
  • SNIP: 0,615 (2014)
  • Impacto JCR a 5 años: 1,191
  • Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Diaminocarbenes; calculation of barriers to rotation about Ccarbene-N bonds, barriers to dimerization, proton affinities, and 13C NMR shifts

  • Alder R.W.
  • Blake M.E.
  • Oliva J.M.

Journal of Physical Chemistry A - 16/12/1999

10.1021/jp9934228

Número de citas: 118 (Web of Science) 109 (Scopus)
  • CiteScore: 4,5 (2020)
  • SJR: 1,443 (1999)
  • SNIP: 1,591 (1999)

Diborane Concatenation Leads to New Planar Boron Chemistry

  • Oliva-Enrich J.M.
  • Kondo T.
  • Alkorta I.
  • Elguero J.
  • Klein D.J.

CHEMPHYSCHEM - 1/1/2020

10.1002/cphc.202000554

Número de citas: 15 (Web of Science) 3 (Scopus)
  • Factor Impacto JCR: 3,102 (2020)
  • CiteScore: 5,9 (2020)
  • SJR: 1,016 (2020)
  • SNIP: 0,817 (2020)
  • Impacto JCR a 5 años: 3,151
  • Categorías JCR: CHEMISTRY, PHYSICAL

Distinct photophysics of the isomers of B18H22 explained

  • Londesborough M.
  • Hnyk D.
  • Bould J.
  • Serrano-Andrés L.
  • Sauri V.
  • Oliva J.
  • Kubát P.
  • Polívka T.
  • Lang K.
... Ver más Contraer

INORGANIC CHEMISTRY - 6/2/2012

10.1021/ic201726k

Número de citas: 47 (Web of Science) 35 (Scopus)
  • Factor Impacto JCR: 4,593 (2012)
  • CiteScore: 8 (2020)
  • SJR: 2,094 (2012)
  • SNIP: 1,331 (2012)
  • Impacto JCR a 5 años: 4,551
  • Categorías JCR: CHEMISTRY, INORGANIC & NUCLEAR
Open Access

Electronic and structural relations between solid CaB<sub>6</sub> and the molecular dianion B<sub>6</sub>H<sub>6</sub><sup>(2-)</sup>: A computational study

  • Oliva-Enrich J.M.
  • Alcoba D.R.
  • Oña O.B.
  • Lain L.
  • Torre A.
  • Jiao Y.
  • Ma B.
  • Chen Z.
  • Wu W.
... Ver más Contraer

Solid State Sciences - 1/4/2020

10.1016/j.solidstatesciences.2020.106169

Número de citas:
  • Cuartil SJR: Q2
  • Factor Impacto JCR: 3,059 (2020)
  • CiteScore: 3,9 (2020)
  • SJR: 0,565 (2020)
  • SNIP: 0,78 (2020)
  • Impacto JCR a 5 años: 2,536
  • Categorías JCR: CHEMISTRY, INORGANIC & NUCLEAR
  • Categorías SJR: Chemistry (all) (Q2); Condensed Matter Physics (Q2); Materials Science (all) (Q2)

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

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

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)

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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

Número de citas: 1 (Web of Science)

Scopus: 20

Web of Science: 17

Scopus: 37

Web of Science: 27

Última actualización de los datos: 4/05/24 5:24
Próxima recolección programada: 11/05/24 3:00