Oliva Enrich, José María Author

Toward (car)borane-based molecular magnets (vol 134, pg 9, 2015)

  • Oliva J.
  • Alcoba D.
  • Oña O.
  • Torre A.
  • Lain L.
  • Michl J.

THEORETICAL CHEMISTRY ACCOUNTS - 10/3/2016

10.1007/s00214-016-1841-9

Cite count:

Electronic structure studies of diradicals derived from <i>Closo</i>-Carboranes

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

THEORETICAL CHEMISTRY ACCOUNTS - 1/3/2013

10.1007/s00214-012-1329-1

Cite count: 12 (Web of Science) 11 (Scopus)

Toward (car)borane-based molecular magnets

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

THEORETICAL CHEMISTRY ACCOUNTS - 18/1/2015

10.1007/s00214-014-1611-5

Cite count: 14 (Web of Science) 8 (Scopus)

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)
Open Access

Huckeloid model for planar boranes

  • Klein D.J.
  • Ferrer M.
  • Elguero J.
  • Bytautas L.
  • Oliva-Enrich J.M.

THEORETICAL CHEMISTRY ACCOUNTS - 1/6/2021

10.1007/s00214-021-02752-x

Cite count: 5 (Web of Science)
Open Access

On the effect of charge and spin in He<SUP>(q)</SUP>@X<sub>n</sub>Z<sub>12-n</sub>H12( n-2) molecules, with X = {C, Si}, Z = {B, Al} and q = {0,+1,+2}, n = {0,1}

  • Oliva-Enrich J.
  • Klein D.

THEORETICAL CHEMISTRY ACCOUNTS - 9/8/2019

10.1007/s00214-019-2490-6

Cite count: 1 (Web of Science)
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 - 20/2/2017

10.1007/s00214-017-2059-1

Cite count: 3 (Web of Science) 3 (Scopus)

Complexes between bicyclic boron derivatives and dihydrogen: the importance of strain

  • Alkorta I.
  • Elguero J.
  • Oliva-Enrich J.M.

STRUCTURAL CHEMISTRY - 1/8/2020

10.1007/s11224-020-01556-2

Cite count: 3 (Web of Science) 1 (Scopus)

Borane derivatives of five-membered N-heterocyclic rings as frustrated Lewis pairs: activation of CO2

  • Ferrer M.
  • Alkorta I.
  • Oliva-Enrich J.M.
  • Elguero J.

STRUCTURAL CHEMISTRY - 1/1/2023

10.1007/s11224-023-02170-8

Cite count: 1 (Scopus)
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.
... View more Collapse

SOLID STATE SCIENCES - 1/4/2020

10.1016/j.solidstatesciences.2020.106169

Cite count:

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
... View more Collapse

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

10.2174/9789815036848122060008

  • 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)

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

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