Oliva Enrich, José María Autor

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:

Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds

  • López-Sánchez R.
  • Ferrer M.
  • Oliva-Enrich J.M.
  • Alkorta I.
  • Elguero J.

ChemPhysChem - 1/1/2024

10.1002/cphc.202300809

Número de citas:

(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 - 1/1/2024

10.1002/cphc.202300750

Número de citas:

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:

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:

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)

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)

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:

Anion complexes of diborane derivatives inserted to benzene

  • Lopez-Sanchez, Ruben
  • Oliva-Enrich, Josep M.
  • Alkorta, Ibon
  • Elguero, Jose

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - 1/1/2022

10.1002/qua.26986

Número de citas: 1 (Web of Science)

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)

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

Composite-system models

  • Klein D.J.
  • Oliva J.M.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - 1/12/2010

10.1002/qua.22830

Número de citas: 2 (Scopus)

Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks

  • Oliva J.
  • Klein D.
  • Von Ragué Schleyer P.
  • Serrano-Andrés L.

PURE AND APPLIED CHEMISTRY - 11/5/2009

10.1351/pac-con-08-09-18

Número de citas: 28 (Scopus)

Binary Phosphorus-Carbon Compounds: The Series P4C3+8n

  • 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)

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

Erratum: Author Correction: Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition (Nature communications (2018) 9 1 (4796))

  • 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)

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)

Erratum to: Toward (car)borane-based molecular magnets (Theor Chem Acc, 134, 9, (2015), 10.1007/s00214-014-1611-5)

  • Oliva J.
  • Alcoba D.
  • Oña O.
  • Torre A.
  • Lain L.
  • Michl J.

THEORETICAL CHEMISTRY ACCOUNTS - 1/4/2016

10.1007/s00214-016-1841-9

Número de citas:

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:

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)

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

Scopus: 20

Web of Science: 17

Scopus: 37

Web of Science: 27

Última actualización de los datos: 23/03/24 5:21
Próxima recolección programada: 30/03/24 3:00