Showing 1 - 20 results of 68 for search '"quantum chemistry"', query time: 1.17s Refine Results
  1. 1
    Interaction of ciprofloxacin with arabinose, glucosamine, glucuronic acid and Rhamnose: insights from geneticalgorithm and quantum chemistry
    Por Coba Jiménez, Ludis Mercedes
    Published in 2022
    Repositorio Repositorio Uniatlantico

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  2. 2
    Interaction of Ciprofloxacin with Arabinose, Glucosamine, Glucuronic Acid and Rhamnose: Insights from Genetic Algorithm and Quantum Chemistry
    Por Coba-Jiménez, Ludis; Guerra, Mayamarú; Maza, Julio; Deluque-Gómez, Julio; Cubillán, Néstor
    Published in 2022
    Repositorio Repositorio Institucional UTB

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  3. 3
    Implementación computacional en python de desarrollos mecánico-cuánticos empleados en el curso de átomos y moléculas para estudiar el comportamiento de la materia a nivel atómico y...
    Por Giraldo Hernández, Carlos Andrés
    Published in 2020
    Repositorio Universidad Nacional de Colombia

    Subjects: “...Quantum chemistry - problems, exercises, etc....”
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  4. 4
    Title not available
    Published in 2013
    Repositorio Repositorio UDEM
    Subjects: “...Quantum chemistry...”
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  5. 5
    Article of journal
    First molecular electronic hyperpolarizability of two oxazoles dyes in solution
    Por Abegão G., Luis M; Fonseca, Ruben D.; Santos, Francisco A.; Piguel, Sandrine; Rodrigues, José Joatan; Mendonça Renato, Cleber; Kamada, Kenji; De Boni, Leonardo
    Published in 2018
    Repositorio REDICUC - Repositorio CUC

    Subjects: “...Quantum chemistry...”
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  6. 6
    Algorithm based on the Thomson problem for determination of equilibrium structures of metal nanoclusters
    Published in 2017
    Repositorio Repositorio UDEM
    Subjects: “...Quantum chemistry...”
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  7. 7
    Article of journal
    Semi-empirical quantum evaluation of peptide – MHC class II binding
    Por González, Ronald; Suárez, Carlos F.; Bohórquez, Hugo J.; Patarroyo, Manuel-Alfonso; Patarroyo, Manuel-Elkin
    Published in 2017
    Repositorio Repositorio Institucional UDCA

    Subjects: “...Quantum chemistry...”
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  8. 8
    Article of journal
    Oxazole Dyes With Potential For Photoluminescence Bioprobes: A Two-Photon Absorption Study
    Por Abegão G., Luis M; Fonseca Rodriguez, Ruben Dario; Ramos, Tárcius N; Mahuteau Betzer, Florence; Piguel, Sandrine; Joatan, José R; Mendonça, Cleber Renato; Canuto, Sylvio; Silva, Daniel Luiz; De Boni, Leonardo
    Published in 2018
    Repositorio REDICUC - Repositorio CUC

    Subjects: “...Quantum Chemistry...”
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  9. 9
    Potential energy surfaces of WC6 clusters in different spin states
    Published in 2014
    Repositorio Repositorio UDEM
    Subjects: “...Quantum chemistry...”
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  10. 10
    Estudio de los efectos isotópicos de las reacciones (X + X2, X + XY, Y-+ X3CY), (X = H, D, T; Y = Br, Cl, F) con trayectorias de dinámica directa en un método núcleo electrónico...
    Por Moreno Rodríguez, Diego Vicente
    Published in 2012
    Repositorio Universidad Nacional de Colombia

    Subjects: “...quantum chemistry...”
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  11. 11
    Estudio de los efectos isotópicos de las reacciones (X + X2 , X + XY, Y + X3 CY), (X = H, D, T; Y = Br, Cl, F) con trayectorias de Dinamica directa en un método Núcleo Electrónico...
    Por Moreno Rodríguez, Diego Vicente
    Published in 2012
    Repositorio Universidad Nacional de Colombia

    Subjects: “...Quantum Chemistry...”
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  12. 12
    A Comprehensive Picture of the Structures, Energies, and Bonding in [SO4(H2O)n]2-, n = 1-6
    Published in 2019
    Repositorio Repositorio UDEM
    Subjects: “...Quantum chemistry...”
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  13. 13
    Microsolvation of NO3 -: Structural exploration and bonding analysis
    Published in 2016
    Repositorio Repositorio UDEM
    Subjects: “...Quantum chemistry...”
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  14. 14
    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

    Subjects: “...Quantum chemistry...”
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  15. 15
    Ground state energies of H2 using variational quantum circuits
    Por Cotrino Sandoval, Sergio Andrés
    Published in 2024
    Repositorio Universidad Nacional de Colombia

    Subjects: “...Quantum chemistry...”
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  16. 16
    Diels-Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux
    Published in 2020
    Repositorio Repositorio UDEM
    Subjects: “...Quantum chemistry...”
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  17. 17
    Implementación de un método de orbitales moleculares de fragmentos para cualquier partícula en el paquete computacional LOWDIN
    Por González Medina, Ronald
    Published in 2014
    Repositorio Universidad Nacional de Colombia

    Subjects: “...Quantum chemistry...”
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  18. 18
    Steric and chain length effects in the (√(3) × √(3))R30° structures of alkanethiol self-assembled monolayers on Au(111)
    Published in 2011
    Repositorio Repositorio Institucional UTB
    Subjects: “...Quantum chemistry...”
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  19. 19
    Doctoral thesis
    Development of a multicomponent wavefunction-in-DFT embedding methodology
    Por Moncada Arias, Félix Santiago
    Published in 2021
    Repositorio Universidad Nacional de Colombia

    Subjects: “...Quantum chemistry...”
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  20. 20
    Symmetry-protected metallic and topological phases in penta-materials
    Published in 2019
    Repositorio Repositorio UDEM
    “... novel approach, called topological quantum chemistry, that allows to characterize the topology...”
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