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Oliva Enrich, José María Author

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.
... View more Collapse

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM - 18/11/1996

10.1016/s0166-1280(96)04637-4

Cite count: 27 (Web of Science) 26 (Scopus)

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 - 15/5/1996

10.1002/(sici)1097-461x(1996)58:4<361::aid-qua5>3.3.co;2-j

Cite count: 49 (Web of Science) 47 (Scopus)
  • CiteScore: 3.4 (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

Cite count: 14 (Web of Science) 12 (Scopus)
  • CiteScore: 5.5 (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

Cite count: 26 (Web of Science) 28 (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

Cite count:
  • CiteScore: 0.8 (2020)

On the degeneracy of the H-2 and P-2 states from the atomic configuration d(3) in the non-relativistic Hartree-Fock approximation

  • Oliva J.M.

PHYSICS LETTERS A - 8/9/1997

10.1016/s0375-9601(97)00578-1

Cite count: 7 (Web of Science) 7 (Scopus)
  • CiteScore: 3.9 (2020)

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

  • Oliva J.M.

THEORETICAL CHEMISTRY ACCOUNTS - 1/11/1999

10.1007/s002140050512

Cite count: 7 (Web of Science) 7 (Scopus)
  • CiteScore: 2.6 (2020)
  • SJR: 1.444 (1999
  • SNIP: 0.96 (1999

Diaminocarbenes;: Calculation of barriers to rotation about C<sub>carbene</sub>-N bonds, barriers to dimerization, proton affinities, and <SUP>13</SUP>C NMR shifts

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

JOURNAL OF PHYSICAL CHEMISTRY A - 16/12/1999

10.1021/jp9934228

Cite count: 119 (Web of Science) 109 (Scopus)
  • CiteScore: 4.5 (2020)
  • SJR: 1.443 (1999
  • SNIP: 1.591 (1999

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

  • Oliva J.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - 5/2/1999

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

Cite count: 1 (Web of Science) 2 (Scopus)
  • CiteScore: 3.4 (2020)
  • SJR: 0.736 (1999
  • SNIP: 0.663 (1999

Complexation of stable carbenes with alkali metals

  • Alder R.W.
  • Blake M.E.
  • Bortolotti C.
  • Bufali S.
  • Butts C.P.
  • Linehan E.
  • Oliva J.M.
  • Orpen A.G.
  • Quayle M.J.
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CHEMICAL COMMUNICATIONS - 7/2/1999

10.1039/a808951e

Cite count: 204 (Web of Science) 201 (Scopus)
  • CiteScore: 9.4 (2020)
  • SJR: 1.777 (1999
  • SNIP: 1.213 (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, VOL 64 - 1/1/2012

10.1016/b978-0-12-396498-4.00004-1

Cite count: 11 (Web of Science) 9 (Scopus)
  • JCR Impact Factor: 2.161 (2012)
  • CiteScore: 2 (2020)
  • SJR: 0.704 (2012
  • SNIP: 1.7 (2012
  • JCR 5-year Impact Factor: 1.694
  • JCR Categories: CHEMISTRY, PHYSICAL

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
... View more Collapse

Frontiers in Computational Chemistry: Volume 6 - 7/09/2022

10.2174/9789815036848122060008

  • ORCID

This author has no conferences.

This author has no patents.

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: 23

Scopus: 37

Web of Science: 52

Last data update: 11/23/24 6:40 AM
Next scheduled update: 11/30/24 3:00 AM