Oliva Enrich, José María Autor

Thermochemistry of halogen-containing organic compounds with influence on atmospheric chemistry

  • Dávalos J.
  • Notario R.
  • Cuevas C.
  • Oliva J.
  • Saiz-Lopez A.

Computational and Theoretical Chemistry - 1/1/2017

10.1016/j.comptc.2016.11.009

Número de citas: 8 (Scopus)

A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60

  • Oña O.B.
  • Ferrer M.
  • Alcoba D.R.
  • Torre A.
  • Lain L.
  • Massaccesi G.E.
  • Klein D.J.
  • Alkorta I.
  • Elguero J.
  • Oliva-Enrich J.M.
... Ver más Contraer

Computational and Theoretical Chemistry - 1/2/2023

10.1016/j.comptc.2022.113987

Número de citas:
Open Access

Borane polyhedra as building blocks for unknown but potentially isolatable new molecules - Extensions based on computations of the known B <sub>18</sub>H<sub>22</sub> isomers

  • Oliva J.M.
  • Rué J.
  • Hnyk D.
  • Kennedy J.D.
  • Rosenfeld V.R.

Croatica Chemica Acta - 1/12/2013

10.5562/cca2304

Número de citas: 7 (Scopus)

Carboranes as Lewis Acids: Tetrel Bonding in CB11H11 Carbonium Ylide

  • Maxime Ferrer
  • Ibon Alkorta
  • José Elguero
  • Josep M. Oliva-Enrich

Crystals - 1/04/2021

10.3390/cryst11040391

Número de citas: 6 (Web of Science) 3 (Scopus)

Organometallic gold complexes of carborane. Theoretical comparative analysis of ortho, meta, and para derivatives and luminescence studies

  • Crespo O.
  • Gimeno M.C.
  • Laguna A.
  • Ospino I.
  • Aullón G.
  • Oliva J.M.

DALTON TRANSACTIONS - 22/6/2009

10.1039/b820803d

Número de citas: 35 (Web of Science) 2 (Scopus)

Trinuclear Gold–Carborane Cluster as a Host Structure

  • Aullón G.
  • Laguna A.
  • Filippov O.
  • Oliva-Enrich J.

European Journal of Inorganic Chemistry - 10/1/2019

10.1002/ejic.201801094

Número de citas: 7 (Scopus)

Geometries of 11-Vertex Carborane Monoanion Radicals with 2n+3 Skeletal Electron Counts

  • Patel N.
  • Oliva-Enrich J.
  • Fox M.

European Journal of Inorganic Chemistry - 25/10/2017

10.1002/ejic.201700419

Número de citas: 2 (Scopus)

Are halocarboranes suitable for substitution reactions? The case for 3-I-1,2-closo-C2B10H11: Molecular orbital calculations, aryldehalogenation reactions, 11B NMR interpretation of closo-carboranes, and molecular structures of 1-Ph-3-Br-1,2-closo-C2B10H10 and 3-Ph-1,2-closo-C2B10H11

  • Viñas C.
  • Barberà G.
  • Oliva J.M.
  • Teixidor F.
  • Welch A.J.
  • Rosair G.M.

Inorganic Chemistry - 17/12/2001

10.1021/ic010493o

Número de citas: 81 (Web of Science) 75 (Scopus)

Magnetic Properties of Mononuclear Co(II) Complexes with Carborane Ligands

  • Alcoba D.
  • Oña O.
  • Massaccesi G.
  • Torre A.
  • Lain L.
  • Melo J.
  • Peralta J.
  • Oliva-Enrich J.
... Ver más Contraer

Inorganic Chemistry - 2/7/2018

10.1021/acs.inorgchem.8b00815

Número de citas: 9 (Scopus)

Possible nonactivated conductivity of the low-dimensional ternary nitride Ca<sub>2</sub>GeN<sub>2</sub>

  • Oliva J.M.
  • Canadell E.

Inorganic Chemistry - 9/9/2002

10.1021/ic0256361

Número de citas: 1 (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

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)

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)

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

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

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

Este autor no tiene conferencias.

Este autor no tiene patentes.

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: 4/05/24 5:24
Próxima recolección programada: 11/05/24 3:00