Showing 1 - 20 results of 38 for search '"theoretical chemistry"', query time: 0.38s Refine Results
  1. 1
    KLD: a program to elucidate the localization of the Fermi and Coulomb holes in molecular systems
    Published in 2024
    Repositorio Repositorio EdocUR - U. Rosario
    Subjects: “...Physical and Theoretical Chemistry...”
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  2. 2
    Estudio termodinámico de la solubilidad de sulfadiazina en mezclas acuosas de Carbitol y N-Metil-Pirrolidona
    Por Osorio Amado, Irmis Patricia
    Published in 2021
    Repositorio Universidad Nacional de Colombia

    Subjects: “...Physical and theoretical chemistry...”
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  3. 3
    Why CpAl–Cr(CO)5 is linear while CpIn–Cr(CO)5 is not? Understanding the structure and bonding of the CpE–Cr(CO)5 (E = Group 13 element) complexes
    Published in 2016
    Repositorio Repositorio UDEM
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  4. 4
    Structure and bonding in WCn (n = 2–5) clusters
    Published in 2016
    Repositorio Repositorio UDEM
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  5. 5
    Algorithm based on the Thomson problem for determination of equilibrium structures of metal nanoclusters
    Published in 2017
    Repositorio Repositorio UDEM
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  6. 6
    Adsorption of Nitrate and Bicarbonate on Fe-(Hydr)oxide
    Published in 2017
    Repositorio Repositorio UDEM
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  7. 7
    Article of journal
    Colombia sin asbesto visión química.
    Por Brand López, Laura
    Published in 2016
    Repositorio Repositorio Institucional UPN

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  8. 8
    Article of journal
    Characterization of charge transfer mechanisms in the molecular capacitor β-DiCC[Ni(dmit)2] using TD-DFT methods
    Por Rodríguez Salcedo, Jhojanis; Vivas Reyes, Ricardo; Zapata Rivera, Jhon Enrique
    Published in 2017
    Repositorio REDICUC - Repositorio CUC

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  9. 9
    A Comprehensive Picture of the Structures, Energies, and Bonding in [SO4(H2O)n]2-, n = 1-6
    Published in 2019
    Repositorio Repositorio UDEM
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  10. 10
    Article of journal
    Aproximación al perfil conceptual de las disoluciones electrolíticas
    Por Sanabria-Rojas, Quira Alejandra
    Published in 2019
    Repositorio RIUCaC - Repositorio U. Católica

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  11. 11
    Physico-Chemical and structural interpretation of discrete derivative indices on N-tuples atoms
    Published in 2016
    Repositorio Repositorio Institucional UTB
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  12. 12
    Generalized molecular descriptors derived from event-based discrete derivative
    Published in 2016
    Repositorio Repositorio Institucional UTB
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  13. 13
    Review article
    Artículo: Un paso hacia el futuro de la energía vial
    Por Uran Vásquez, Duvan Alexis; Castrillón Gonzales, David; Moncada Castaño, Sebastián
    Published in 2017
    Repositorio Repositorio IUE

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  14. 14
    Trabajo de grado de pregrado
    Uso de la química computacional como herramienta para la enseñanza de la química en institutiones educativas
    Por Patiño Soriano, Dennis Tatiana
    Published in 2017
    Repositorio Repositorio Institucional UDCA

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  15. 15
    Theoretical study of phosphate adsorption from wastewater using Al-(hydr)oxide
    Published in 2017
    Repositorio Repositorio UDEM
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  16. 16
    Measurement of potential absorption capacity in Colombia's innovative companies [Medición de la capacidad de absorción potencial en las empresas innovadoras de Colombia]
    Published in 2017
    Repositorio Repositorio UDEM
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  17. 17
    Recurso educativo digital (RED) para el aprendizaje de los números cuánticos y configuración electrónica
    Por Giraldo Franco, Santiago
    Published in 2022
    Repositorio Universidad Nacional de Colombia

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  18. 18
    Extension of the B3LYP-dispersion-correcting potential approach to the accurate treatment of both inter-and intra-molecular interactions
    Published in 2013
    Repositorio Repositorio Institucional UTB
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  19. 19
    Structural Evolution of the Rhodium-Doped Silver Clusters AgnRh (n ≤ 15) and Their Reactivity toward NO
    Published in 2017
    Repositorio Repositorio UDEM
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  20. 20
    Predicción de la propensión de péptidos a formar agregados tipo amiloide mediante cálculos de estructura electrónica
    Por Espín Delgado, Luisa Fernanda
    Published in 2021
    Repositorio Universidad Nacional de Colombia

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