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Oliva Enrich, José María Autor

Quantitative vs. qualitative approaches to the electronic structure of solids

  • Oliva J.M.
  • Llunell M.
  • Alemany P.
  • Canadell E.

Journal of Solid State Chemistry - 1/12/2003

10.1016/s0022-4596(03)00219-6

Número de citas: 7 (Scopus)
  • CiteScore: 4,6 (2020)
  • SJR: 0,802 (2003)
  • SNIP: 1,064 (2003)

Photochromic System among Boron Hydrides: The Hawthorne Rearrangement

  • Francés-Monerris A.
  • Holub J.
  • Roca-Sanjuán D.
  • Hnyk D.
  • Lang K.
  • Oliva-Enrich J.

Journal of Physical Chemistry Letters - 17/10/2019

10.1021/acs.jpclett.9b02290

Número de citas: 12 (Web of Science) 6 (Scopus)
  • Cuartil SJR: Q1
  • Factor Impacto JCR: 6,71 (2019)
  • Impacto JCR a 5 años: 7,811
  • Categorías JCR: MATERIALS SCIENCE, MULTIDISCIPLINARY
  • Categorías SJR: Materials Science (miscellaneous) (Q1); Nanoscience and Nanotechnology (Q1); Physical and Theoretical Chemistry (Q1)

Anionic oligomerization of Li<sub>2</sub>[B<sub>12</sub>H<sub>12</sub>] and Li[CB<sub>11</sub>H<sub>12</sub>]: An experimental and computational study

  • Dávalos J.
  • González J.
  • Guerrero A.
  • Hnyk D.
  • Holub J.
  • Oliva J.

Journal of Physical Chemistry C - 24/1/2013

10.1021/jp3102354

Número de citas: 9 (Scopus)
  • Factor Impacto JCR: 4,835 (2013)
  • CiteScore: 7,1 (2020)
  • SJR: 2,143 (2013)
  • SNIP: 1,433 (2013)
  • Impacto JCR a 5 años: 5,241
  • Categorías JCR: MATERIALS SCIENCE, MULTIDISCIPLINARY

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: 12 (Web of Science)
  • Factor Impacto JCR: 2,944 (2021)
  • CiteScore: 4,5 (2020)
  • SJR: 0,756 (2020)
  • SNIP: 0,904 (2020)
  • Impacto JCR a 5 años: 2,77
  • Categorías JCR: CHEMISTRY, PHYSICAL
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)

Diaminocarbenes; calculation of barriers to rotation about Ccarbene-N bonds, barriers to dimerization, proton affinities, and 13C NMR shifts

  • Alder R.W.
  • Blake M.E.
  • Oliva J.M.

Journal of Physical Chemistry A - 16/12/1999

10.1021/jp9934228

Número de citas: 118 (Web of Science) 109 (Scopus)
  • CiteScore: 4,5 (2020)
  • SJR: 1,443 (1999)
  • SNIP: 1,591 (1999)

Acidities of closo -1-COOH-1,7-C<sub>2</sub>B<sub>10</sub>H<sub>11</sub> and amino acids based on icosahedral carbaboranes

  • Dávalos J.Z.
  • González J.
  • Ramos R.
  • Hnyk D.
  • Holub J.
  • Santaballa J.A.
  • Canle-L. M.
  • Oliva J.M.
... Ver más Contraer

Journal of Physical Chemistry A - 17/4/2014

10.1021/jp412400q

Número de citas: 7 (Scopus)
  • Factor Impacto JCR: 2,693 (2014)
  • CiteScore: 4,5 (2020)
  • SJR: 1,159 (2014)
  • SNIP: 1,058 (2014)
  • Impacto JCR a 5 años: 2,713
  • Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Modulation of the C-C distance in disubstituted 1,2-R2-o-carboranes. Crystal structure of closo 1,2-(SPh)2-1,2-C2B10H10

  • Llop J.
  • Viñas C.
  • Oliva J.M.
  • Teixidor F.
  • Flores M.A.
  • Kivekas R.
  • Sillanpää R.
... Ver más Contraer

Journal of Organometallic Chemistry - 1/9/2002

10.1016/s0022-328x(02)01637-6

Número de citas: 93 (Web of Science) 92 (Scopus)
  • CiteScore: 4,4 (2020)
  • SJR: 1,211 (2002)
  • SNIP: 0,909 (2002)

Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations

  • Fradera X.
  • Amat L.
  • Torrent M.
  • Mestres J.
  • Constans P.
  • Besalú E.
  • Martí J.
  • Simon S.
  • Lobato M.
  • Oliva J.
  • Luis J.
  • Andrés J.
  • Solà M.
  • Carbó R.
  • Duran M.
... Ver más Contraer

Journal of Molecular Structure: THEOCHEM - 18/11/1996

10.1016/s0166-1280(96)04637-4

Número de citas: 27 (Web of Science) 26 (Scopus)

On the electronic structure of a dianion, a radical anion, and a neutral biradical (HB)<sub>11</sub>C{single bond}C{triple bond, long}C{single bond}C(BH)<sub>11</sub> carborane dimer

  • Oliva J.
  • Serrano-Andrés L.
  • Havlas Z.
  • Michl J.

Journal of Molecular Structure: THEOCHEM - 30/10/2009

10.1016/j.theochem.2009.01.033

Número de citas: 19 (Scopus)
  • Factor Impacto JCR: 1,216 (2009)
  • Impacto JCR a 5 años: 1,212
  • Categorías JCR: CHEMISTRY, PHYSICAL

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

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

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

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.

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: 27/04/24 5:22
Próxima recolección programada: 4/05/24 3:00