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Oliva Enrich, José María Autor

Open Access

Striking Borane Planarization in the Thermal Rearrangement (<i>η</i><SUP>5</SUP>-C<sub>5</sub>H<sub>5</sub>)Fe(<i>η</i><SUP>3</SUP>-B<sub>5</sub>H<sub>10</sub>)→(<i>η</i><SUP>5</SUP>-C<sub>5</sub>H<sub>5</sub>)Fe(<i>η</i><SUP>5</SUP>-B<sub>5</sub>H<sub>10</sub>)

  • Ferrer M.
  • Alkorta I.
  • Elguero J.
  • Barrios-Llacuachaqui J.R.
  • Tiznado W.
  • Oliva-Enrich J.M.

CHEMISTRY-A EUROPEAN JOURNAL - 16/7/2024

10.1002/chem.202401536

Número de citas: 1 (Scopus)
  • CiteScore: 7,9 (2023)
  • SJR: 1,058 (2023)
  • SNIP: 0,865 (2023)
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: 1 (Web of Science) 2 (Scopus)
  • CiteScore: 4,6 (2023)
  • SJR: 0,623 (2023)
  • SNIP: 0,644 (2023)
Open Access

A multi-FLP approach for CO<inf>2</inf> capture: investigating nitrogen, boron, phosphorus and aluminium doped nanographenes and the influence of a sodium cation

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

Physical Chemistry Chemical Physics - 27/3/2024

10.1039/d4cp00496e

Número de citas: 1 (Scopus)
  • CiteScore: 5,5 (2023)
  • SJR: 0,721 (2023)
  • SNIP: 0,803 (2023)
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: 2 (Scopus)
  • CiteScore: 4,6 (2023)
  • SJR: 0,623 (2023)
  • SNIP: 0,644 (2023)
Open Access

Capture of CO<sub>2</sub> 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 - 13/2/2024

10.1021/acs.jpca.3c08412

Número de citas: 1 (Web of Science) 1 (Scopus)
  • CiteScore: 5,2 (2023)
  • SJR: 0,604 (2023)
  • SNIP: 0,838 (2023)
Open Access

Quantum-chemical study of atomic X<sub>30</sub> trefoil knots with X = {H, He, Li, Be, B, C}

  • Ferrer M.
  • Burgos J.I.
  • Klein D.J.
  • Oliva-Enrich J.M.

MOLECULAR PHYSICS - 1/1/2024

10.1080/00268976.2024.2409929

Número de citas:
  • CiteScore: 3,6 (2023)
  • SJR: 0,326 (2023)
  • SNIP: 0,53 (2023)

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 - 23/8/2023

10.1039/d3cp02516k

Número de citas:
  • Factor Impacto JCR: 2,9 (2023)
  • CiteScore: 5,9 (2022)
  • SJR: 0,824 (2022)
  • SNIP: 0,906 (2022)
  • Impacto JCR a 5 años: 3
  • Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Open Access

Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mo?ssbauer 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 - 18/4/2023

10.1021/acsomega.3c00422

Número de citas: 2 (Web of Science)
  • Factor Impacto JCR: 3,7 (2023)
  • CiteScore: 5,9 (2022)
  • SJR: 0,694 (2022)
  • SNIP: 0,941 (2022)
  • Impacto JCR a 5 años: 4
  • Categorías JCR: CHEMISTRY, MULTIDISCIPLINARY

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>

  • 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:
  • Factor Impacto JCR: 3 (2023)
  • CiteScore: 3,4 (2022)
  • SJR: 0,383 (2022)
  • SNIP: 0,633 (2022)
  • Impacto JCR a 5 años: 2,3
  • Categorías JCR: CHEMISTRY, PHYSICAL
Open Access

Reactivity of a model of B<sub>3</sub>P<sub>3</sub>-doped nanographene with up to three CO<sub>2</sub> molecules

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

SCIENTIFIC REPORTS - 29/1/2023

10.1038/s41598-023-29336-y

Número de citas: 6 (Web of Science) 1 (Scopus)
  • Factor Impacto JCR: 3,8 (2023)
  • CiteScore: 7,5 (2022)
  • SJR: 0,973 (2022)
  • SNIP: 1,312 (2022)
  • Impacto JCR a 5 años: 4,3
  • Categorías JCR: MULTIDISCIPLINARY SCIENCES

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

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

Número de citas: 11 (Web of Science) 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

Scopus: 20

Web of Science: 23

Scopus: 37

Web of Science: 52

Última actualización de los datos: 23/11/24 6:40
Próxima recolección programada: 30/11/24 3:00