Oliva Enrich, José María Autor

Are methyl groups electron-donating or electron-withdrawing in boron clusters? Permethylation of o-carborane

  • Teixidor F.
  • Barberà G.
  • Vaca A.
  • Kivekäs R.
  • Sillanpää R.
  • Oliva J.
  • Viñas C.
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Journal of the American Chemical Society - 27/7/2005

10.1021/ja052981r

Número de citas: 184 (Web of Science) 155 (Scopus)

Subnitride chemistry: A first-principles study of the NaBa<sub>3</sub>N, Na<sub>5</sub>Ba<sub>3</sub>N, and Na<sub>16</sub>Ba<sub>6</sub>N phases

  • Oliva J.

Journal of Solid State Chemistry - 1/4/2005

10.1016/j.jssc.2004.12.041

Número de citas: 2 (Scopus)

MALDI-Fourier transform mass spectrometric and theoretical studies of donor-acceptor and donor-bridge-acceptor fullerenes

  • Frankevich V.E.
  • Dashtiev M.
  • Zenobi R.
  • Kitagawa T.
  • Lee Y.
  • Murata Y.
  • Yamazaki T.
  • Gao Y.
  • Komatsu K.
  • Oliva J.M.
... Ver más Contraer

Physical Chemistry Chemical Physics - 7/3/2005

10.1039/b414349c

Número de citas: 9 (Scopus)

Strikingly long C⋯C distances in 1,2-disubstituted ortho-carboranes and their dianions

  • Oliva J.M.
  • Allan N.L.
  • Schleyer P.V.R.
  • Viñas C.
  • Teixidor F.

Journal of the American Chemical Society - 5/10/2005

10.1021/ja052091b

Número de citas: 161 (Web of Science) 149 (Scopus)

On the low-lying excited states of sym-triazine-based herbicides

  • Oliva J.M.
  • Azenha M.E.D.G.
  • Burrows H.D.
  • Coimbra R.
  • De Melo J.S.S.
  • Canle L M.
  • Fernández M.I.
  • Santaballa J.A.
  • Serrano-Andrés L.
... Ver más Contraer

ChemPhysChem - 1/1/2005

10.1002/cphc.200400349

Número de citas: 29 (Web of Science) 26 (Scopus)

Theoretical study of dielectrically coated metallic nanowires

  • Oliva J.
  • Gray S.

Chemical Physics Letters - 26/9/2003

10.1016/j.cplett.2003.08.038

Número de citas: 23 (Scopus)

Erratum: Solid phosphorus carbide (Chemical Communications (2002) (2494))

  • Claeyssens F.
  • Allan N.L.
  • May P.W.
  • Ordejón P.
  • Oliva J.M.

Chemical Communications - 21/8/2003

Número de citas:

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)

Binary Phosphorus-Carbon Compounds: The Series P<sub>4</sub>C <sub>3+8n</sub>

  • Claeyssens F.
  • Oliva J.
  • May P.
  • Allan N.

International Journal of Quantum Chemistry - 15/11/2003

10.1002/qua.10592

Número de citas: 16 (Scopus)

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)

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)

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)

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

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