Oliva Enrich, José María Autor

A quantum-chemical study of boro-fullerenes B<inf>60</inf>H<inf>60</inf>, B<inf>60</inf>F<inf>30</inf>H<inf>30</inf>, and B<inf>60</inf>F<inf>60</inf>

  • 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:

Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO<inf>2</inf>

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

ChemPhysChem - 1/1/2022

10.1002/cphc.202200204

Número de citas:

Anion complexes of diborane derivatives inserted to benzene

  • Lopez-Sanchez, Ruben
  • Oliva-Enrich, Josep M.
  • Alkorta, Ibon
  • Elguero, Jose

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - 1/1/2022

10.1002/qua.26986

Número de citas:

Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups

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

Journal of Physical Chemistry A - 19/8/2021

10.1021/acs.jpca.1c04787

Número de citas:
Open Access

Hückeloid model for planar boranes

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

Theoretical Chemistry Accounts - 1/5/2021

10.1007/s00214-021-02752-x

Número de citas:
Open Access

Experimental and Computational Studies on the Gas-Phase Acidity of 5,5-Dialkyl Barbituric Acids

  • Dávalos-Prado J.Z.
  • González J.
  • Oliva-Enrich J.M.
  • Urrunaga E.J.
  • Lago A.F.

Journal of the American Society for Mass Spectrometry - 1/1/2021

10.1021/jasms.1c00123

Número de citas:

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: 3 (Scopus)

On the 3D → 2D Isomerization of Hexaborane(12)

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

Chemistry - 01/2021

10.3390/chemistry3010003

Número de citas: 2 (Web of Science)

Hydrogen vs. halogen bonds in 1-halo-closo-carboranes

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

Materials - 1/5/2020

10.3390/ma13092163

Número de citas: 3 (Scopus)
Open Access

Electronic and structural relations between solid CaB6 and the molecular dianion B6H6(2-): 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:

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)

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)

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

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

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)

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 - 11/5/2009

10.1351/pac-con-08-09-18

Número de citas: 28 (Scopus)

Binary Phosphorus-Carbon Compounds: The Series P4C3+8n

  • Claeyssens F.
  • Oliva J.
  • May P.
  • Allan N.

International Journal of Quantum Chemistry - 15/11/2003

10.1002/qua.10592

Número de citas: 16 (Scopus)

Este autor no tiene patentes.

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

Erratum: Author Correction: Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition (Nature communications (2018) 9 1 (4796))

  • Saiz-Lopez A.
  • Sitkiewicz S.P.
  • Roca-Sanjuán D.
  • Oliva-Enrich J.M.
  • Dávalos J.Z.
  • Notario R.
  • Jiskra M.
  • Xu Y.
  • Wang F.
  • Thackray C.P.
  • Sunderland E.M.
  • Jacob D.J.
  • Travnikov O.
  • Cuevas C.A.
  • Acuña A.U.
  • Rivero D.
  • Plane J.M.C.
  • Kinnison D.E.
  • Sonke J.E.
... Ver más Contraer

Nature communications - 10/2/2022

10.1038/s41467-022-28455-w

Número de citas:

Erratum to: Toward (car)borane-based molecular magnets (Theor Chem Acc, 134, 9, (2015), 10.1007/s00214-014-1611-5)

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

Theoretical Chemistry Accounts - 1/4/2016

10.1007/s00214-016-1841-9

Número de citas:

Erratum: Solid phosphorus carbide (Chemical Communications (2002) (2494))

  • Claeyssens F.
  • Allan N.L.
  • May P.W.
  • Ordejón P.
  • Oliva J.M.

Chemical Communications - 21/8/2003

Número de citas:

Additions and corrections: Complexation of stable carbenes with alkali metals (Chemical Communications (1999) (241))

  • Alder R.W.
  • Blake M.E.
  • Bortolotti C.
  • Bufali S.
  • Butts C.P.
  • Linehan E.
  • Oliva J.M.
  • Orpen A.G.
  • Quayle M.
... Ver más Contraer

Chemical Communications - 7/6/1999

Número de citas: 6 (Scopus)

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

Scopus: 20

Web of Science: 2

Scopus: 37

Web of Science: 1

Última actualización de los datos: 28/01/23 7:09
Próxima recolección programada: 4/02/23 3:00