Lain, Luis

PRODUCCION CIENTÍFICO TECNOLÓGICA

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Artículo A decomposition of the number of effectively unpaired electrons and its physical meaning

Lain, Luis; Torre, Alicia; Alcoba, Diego Ricardo ; Bochicchio, Roberto Carlos (Elsevier Science, 2009-06)
Artículo A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60

Oña, Ofelia Beatriz ; Ferrer, Maxime; Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Klein, Douglas J.; Alkorta, Ibon; Elguero, José; Oliva Enrich, Josep M. (Elsevier B.V., 2023-02)
Artículo A study of the compactness of wave functions based on Shannon entropy indices: a seniority number approach

Lain, Luis; Torre, Alicia; Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Massaccesi, Gustavo Ernesto (Springer, 2015-07)
Artículo A study of the relationships between unpaired electron density, spin-density and cumulant matrices

Lain, Luis; Torres, Alicia Ines ; Alcoba, Diego Ricardo ; Bochicchio, Roberto Carlos (Springer, 2011-02)
Artículo An orbital localization criterion based on the theory of "fuzzy" atoms

Alcoba, Diego Ricardo ; Lain, Luis; Torre, Alicia; Bochicchio, Roberto Carlos (John Wiley & Sons Inc, 2006-12)
Artículo An orbital localization criterion based on the topological analysis of the electron localization function at correlated level

Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis; Tiznado, William (John Wiley & Sons Inc, 2018-07)
Artículo Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon

Torres Vega, Juan J.; Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Vasquez Espinal, A.; Baez Grez, R.; Lain, Luis; Torre, Alicia; García, Victor Raúl; Tiznado, William (Multidisciplinary Digital Publishing Institute, 2021-12)
Artículo Analysis of molecular and (di)atomic dual-descriptor functions and matrices

Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis; Bultinck, Patrick (Springer, 2017-05)
Artículo Covalent bond indices and ionicities from similarity measures

Alcoba, Diego Ricardo ; Bochicchio, Roberto Carlos ; Lain, Luis; Torre, Alicia (Elsevier Science, 2007-07)
Artículo Decomposition of the first-order reduced density matrix: An isopycnic localization treatment

Alcoba, Diego Ricardo ; Bochicchio, Roberto Carlos ; Torre, Alicia; Lain, Luis (American Chemical Society, 2006-07)
Artículo Description of functional groups by means of domain-restricted reduced density matrices

Alcoba, Diego Ricardo ; Torre, Alicia; Bochicchio, Roberto Carlos ; Lain, Luis (Springer, 2007-12)
Artículo Descriptions of local spins in the three-dimensional physical space

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Bochicchio, Roberto Carlos (Elsevier Science, 2011-03)
Artículo Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method

Garros, Adán ; Alcoba, Diego Ricardo ; Capuzzi, Pablo ; Lain, Luis; Torre, Alicia; Oña, Ofelia Beatriz ; Dukelsky, Jorge (American Institute of Physics, 2023-09)
Artículo Determination of exchange coupling constants in linear polyradicals by means of local spins

Oña, Ofelia Beatriz ; Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oliva Enrich, Josep M. (Springer, 2017-03)
Artículo Determination of heisenberg exchange coupling constants in clusters with magnetic sites: A local spin approach

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Oña, Ofelia Beatriz ; Oliva, Josep M. (John Wiley & Sons Inc, 2014-04)
Artículo Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N -representability conditions

Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Oña, Ofelia Beatriz ; Honore, Eduardo Misael; Poelmans, Ward; Van Neck, Dimitri; Bultinck, Patrick; De Baerdemacker, Stijn (American Institute of Physics, 2018-01)
Artículo Electronic and structural relations between solid CaB6 and the molecular dianion B6H6 (2-): A computational study

Oliva Enrich, Josep M.; Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Lain, Luis; Torre, Alicia; Y. Jiao; B. Ma; Z. Chen; W. Wu (Elsevier Science, 2020-04)
Artículo Electronic structure and effectively unpaired electron density topology in closo -Boranes: Nonclassical three-center two-electron bonding

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos ; Torres, Alicia Ines ; Lain, Luis (American Chemical Society, 2011-07)
Artículo Electronic structure studies of diradicals derived from Closo-Carboranes

Oliva, Josep M.; Alcoba, Diego Ricardo ; Lain, Luis; Torre, Alicia (Springer, 2013-03)
Artículo Erratum to: Toward (car)borane-based molecular magnets (Theor Chem Acc, 134, 9, (2015), 10.1007/s00214-014-1611-5)

Oliva, Josep M.; Alcoba, Diego Ricardo ; Oña, Ofelia Beatriz ; Torre, Alicia; Lain, Luis; Michl, J. (Springer, 2016-04)

Mostrando ítems 1-20 de 43

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