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Oliva Enrich, José María Autor

The use of ab initio quantum molecular self-similarity measures to analyze electronic charge density distributions

  • Solà M.
  • Mestres J.
  • Oliva J.M.
  • Duran M.
  • Carbó R.

International Journal of Quantum Chemistry - 1/1/1996

10.1002/(sici)1097-461x(1996)58:4<361::aid-qua5>3.0.co;2-w

Número de citas: 47 (Scopus)
  • CiteScore: 3,4 (2020)

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.
... Ver más Contraer

Journal of Molecular Structure: THEOCHEM - 18/11/1996

10.1016/s0166-1280(96)04637-4

Número de citas: 27 (Web of Science) 26 (Scopus)

On the degeneracy of the <sup>2</sup>H and <sup>2</sup>P states from the atomic configuration d<sup>3</sup> in the non-relativistic Hartree-Fock approximation

  • Oliva J.M.

Physics Letters, Section A: General, Atomic and Solid State Physics - 8/09/1997

10.1016/s0375-9601(97)00578-1

Número de citas: 7 (Scopus)
  • CiteScore: 3,9 (2020)

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)

Self-consistent field (SCF) theory of highly symmetric open-shell molecules: Difficulties arisen in the monoconfigurational approximation

  • Oliva J.

Afinidad - 1/3/1997

Número de citas:
  • CiteScore: 0,8 (2020)

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)

Rate constant calculations in the dimerization of diaminocarbene: A direct dynamics study

  • Oliva J.

Chemical Physics Letters - 12/03/1999

10.1016/s0009-2614(99)00110-4

Número de citas: 8 (Scopus)
  • CiteScore: 3,7 (2020)
  • SJR: 1,326 (1999)
  • SNIP: 0,987 (1999)

Transition states in modern valence-bond theory: Application to the Cope rearrangement

  • Oliva J.M.

Theoretical Chemistry Accounts - 1/1/1999

10.1007/s002140050512

Número de citas: 7 (Scopus)
  • CiteScore: 2,6 (2020)
  • SJR: 1,444 (1999)
  • SNIP: 0,96 (1999)

Bonding in benzene methylene isomers: Modern VB study using spin-coupled theory

  • Oliva J.

International Journal of Quantum Chemistry - 1/1/1999

10.1002/(sici)1097-461x(1999)71:4<319::aid-qua4>3.0.co;2-s

Número de citas: 2 (Scopus)
  • CiteScore: 3,4 (2020)
  • SJR: 0,736 (1999)
  • SNIP: 0,663 (1999)

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)

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

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

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

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

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)

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

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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)

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

Scopus: 20

Web of Science: 17

Scopus: 37

Web of Science: 27

Última actualización de los datos: 20/04/24 5:22
Próxima recolección programada: 27/04/24 3:00