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Oliva Enrich, José María Autor

What is the limit of atom encapsulation for icosahedral carboranes?

  • Manero V.
  • Oliva J.
  • Serrano-Andrés L.
  • Klein D.

Journal of Chemical Theory and Computation - 1/7/2007

10.1021/ct700042z

Número de citas: 15 (Scopus)
  • CiteScore: 9,3 (2020)
  • SJR: 2,462 (2007)
  • SNIP: 1,448 (2007)

What electronic structures and geometries of carborane mono- and ortho-, meta-, and para-diradicals are preferred?

  • Serrano-Andrés L.
  • Klein D.J.
  • Von Ragué Schleyer P.
  • Oliva J.M.

Journal of Chemical Theory and Computation - 1/8/2008

10.1021/ct800150h

Número de citas: 26 (Scopus)
  • CiteScore: 9,3 (2020)
  • SJR: 2,486 (2008)
  • SNIP: 1,201 (2008)

Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO2

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

CHEMPHYSCHEM - 1/1/2022

10.1002/cphc.202200204

Número de citas: 5 (Web of Science)
  • Factor Impacto JCR: 2,9 (2022)
  • CiteScore: 5,8 (2021)
  • SJR: 0,86 (2021)
  • SNIP: 0,777 (2021)
  • Impacto JCR a 5 años: 3
  • Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C2B9H11)2]Cs

  • José F. Marco
  • JUAN Z DAVALOS
  • Drahomír Hnyk
  • Josef Holub
  • Ofelia B. Oña
  • Diego R. Alcoba
  • Maxime Ferrer
  • Jose Elguero
  • LUIS LAIN PEREZ
  • Alicia Torre
  • Josep M. Oliva-Enrich
... Ver más Contraer

ACS Omega - 7/04/2023

10.1021/acsomega.3c00422

Número de citas:
  • CiteScore: 5,9 (2022)
  • SJR: 0,694 (2022)
  • SNIP: 0,941 (2022)

Tuning the photophysical properties of anti-B18H22: Efficient intersystem crossing between excited singlet and triplet states in new 4,4′-(HS)2-anti-B18H20.

  • Saurí V.
  • Oliva J.
  • Hnyk D.
  • Bould J.
  • Braborec J.
  • Merchán M.
  • Kubát P.
  • Císařová I.
  • Lang K.
  • Londesborough M.
... Ver más Contraer

INORGANIC CHEMISTRY - 19/8/2013

10.1021/ic4004559

Número de citas: 38 (Web of Science) 26 (Scopus)
  • Factor Impacto JCR: 4,794 (2013)
  • CiteScore: 8 (2020)
  • SJR: 1,821 (2013)
  • SNIP: 1,367 (2013)
  • Impacto JCR a 5 años: 4,661
  • Categorías JCR: CHEMISTRY, INORGANIC & NUCLEAR

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)
  • Cuartil SJR: Q1
  • Factor Impacto JCR: 2,529 (2019)
  • CiteScore: 4,6 (2020)
  • SJR: 0,693 (2019)
  • SNIP: 0,669 (2019)
  • Impacto JCR a 5 años: 2,284
  • Categorías JCR: CHEMISTRY, INORGANIC & NUCLEAR
  • Categorías SJR: Inorganic Chemistry (Q1)

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)
Open Access

Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds

  • López-Sánchez R.
  • Ferrer M.
  • Oliva-Enrich J.M.
  • Alkorta I.
  • Elguero J.

ChemPhysChem - 2/4/2024

10.1002/cphc.202300809

Número de citas:
  • CiteScore: 5,7 (2022)
  • SJR: 0,749 (2022)
  • SNIP: 0,755 (2022)

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

Número de citas: 12 (Web of Science) 8 (Scopus)
  • Factor Impacto JCR: 1,806 (2015)
  • CiteScore: 2,6 (2020)
  • SJR: 0,448 (2015)
  • SNIP: 0,703 (2015)
  • Impacto JCR a 5 años: 1,92
  • Categorías JCR: CHEMISTRY, PHYSICAL

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)

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

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

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

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

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: 20/04/24 5:22
Próxima recolección programada: 27/04/24 3:00