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Oliva Enrich, José María Autor

Ab initio predictions of ferroelectric ternary fluorides with the LiNbO<sub>3</sub> structure

  • Claeyssens F.
  • Oliva J.M.
  • Sánchez-Portal D.
  • Allan N.L.

Chemical Communications - 1/1/2003

10.1039/b309000k

Número de citas: 7 (Scopus)
  • CiteScore: 9,4 (2020)
  • SJR: 1,828 (2003)
  • SNIP: 1,239 (2003)

Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, Y = Cl, Br, and I): molecules of interest in the Earth's atmosphere

  • Sitkiewicz S.
  • Rivero D.
  • Oliva-Enrich J.
  • Saiz-Lopez A.
  • Roca-Sanjuán D.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1/1/2019

10.1039/c8cp06160b

Número de citas: 21 (Web of Science) 15 (Scopus)
  • Cuartil SJR: Q1
  • Factor Impacto JCR: 3,43 (2019)
  • CiteScore: 6,1 (2020)
  • SJR: 1,143 (2019)
  • SNIP: 0,973 (2019)
  • Impacto JCR a 5 años: 3,735
  • Categorías JCR: CHEMISTRY, PHYSICAL
  • Categorías SJR: Physical and Theoretical Chemistry (Q1); Physics and Astronomy (miscellaneous) (Q1)

Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphere

  • Sitkiewicz S.P.
  • Oliva J.M.
  • Dávalos J.Z.
  • Notario R.
  • Saiz-Lopez A.
  • Alcoba D.R.
  • Oña O.B.
  • Roca-Sanjuán D.
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JOURNAL OF CHEMICAL PHYSICS - 28/12/2016

10.1063/1.4971856

Número de citas: 17 (Web of Science) 15 (Scopus)
  • Factor Impacto JCR: 2,965 (2016)
  • CiteScore: 5,5 (2020)
  • SJR: 1,486 (2016)
  • SNIP: 1,002 (2016)
  • Impacto JCR a 5 años: 2,907
  • Categorías JCR: CHEMISTRY, PHYSICAL

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.
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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

A computational study of the interaction of light with silver nanowires of different eccentricity

  • Oliva J.
  • Gray S.

Chemical Physics Letters - 31/8/2006

10.1016/j.cplett.2006.06.031

Número de citas: 4 (Scopus)
  • CiteScore: 3,7 (2020)
  • SJR: 1,5 (2006)
  • SNIP: 1,102 (2006)

A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranes

  • Oliva J.
  • Serrano-ANDRÉS L.

Journal of Computational Chemistry - 1/3/2006

10.1002/jcc.20359

Número de citas: 18 (Scopus)
  • CiteScore: 5,4 (2020)
  • SJR: 2,341 (2006)
  • SNIP: 1,646 (2006)

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)
  • CiteScore: 9,4 (2020)
  • SJR: 1,777 (1999)
  • SNIP: 1,213 (1999)

A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene

  • Schmalz T.
  • Serrano-Andrés L.
  • Sauri V.
  • Merchán M.
  • Oliva J.

Journal of Chemical Physics - 21/11/2011

10.1063/1.3659294

Número de citas: 12 (Scopus)
  • Factor Impacto JCR: 3,333 (2011)
  • CiteScore: 5,5 (2020)
  • SJR: 1,845 (2011)
  • SNIP: 1,232 (2011)
  • Impacto JCR a 5 años: 3,238
  • Categorías JCR: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
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 - 1/1/2024

10.1039/d4cp00496e

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

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)

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

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

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
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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)

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