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Oliva Enrich, José María Autor

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)
Open Access

(Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs. Interactions and CO<inf>2</inf>-Sequestration

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

ChemPhysChem - 15/3/2024

10.1002/cphc.202300750

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

Capture of CO<inf>2</inf> by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme

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

Journal of Physical Chemistry A - 22/2/2024

10.1021/acs.jpca.3c08412

Número de citas:
  • CiteScore: 5 (2022)
  • SJR: 0,675 (2022)
  • SNIP: 0,841 (2022)

A theoretical study of the reaction of borata derivatives of benzene, anthracene and pentacene with CO<inf>2</inf>

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

Physical chemistry chemical physics : PCCP - 23/8/2023

10.1039/d3cp02516k

Número de citas:
  • CiteScore: 5,9 (2022)
  • SJR: 0,824 (2022)
  • SNIP: 0,906 (2022)

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:
  • CiteScore: 3,4 (2022)
  • SJR: 0,383 (2022)
  • SNIP: 0,633 (2022)

Reactivity of a model of B3P3-doped nanographene with up to three CO2 molecules

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

Scientific Reports - 1/12/2023

10.1038/s41598-023-29336-y

Número de citas: 4 (Web of Science) 1 (Scopus)
  • CiteScore: 7,5 (2022)
  • SJR: 0,973 (2022)
  • SNIP: 1,312 (2022)

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

Número de citas: 1 (Scopus)
  • CiteScore: 3,5 (2022)
  • SJR: 0,285 (2022)
  • SNIP: 0,548 (2022)

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)

Author Correction: Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition (Nature Communications, (2018), 9, 1, (4796), 10.1038/s41467-018-07075-3)

  • 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: 1 (Web of Science)
  • Factor Impacto JCR: 16,6 (2022)
  • Impacto JCR a 5 años: 17
  • Categorías JCR: MULTIDISCIPLINARY SCIENCES

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

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

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)

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

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

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.

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

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)

Scopus: 20

Web of Science: 17

Scopus: 37

Web of Science: 27

Última actualización de los datos: 13/04/24 5:31
Próxima recolección programada: 20/04/24 3:00