Showing 1 - 20 results of 72 for search '"quantum chemistry"', query time: 0.12s 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
    Article of journal
    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
    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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  6. 6
    Article of investigation
    Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes
    Por Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio Lopez, Edison Humberto; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita
    Published in 2024
    Repositorio Repositorio Universidad de Ibagué

    Subjects: “...Quantum chemistry...”
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  7. 7
    Semi-empirical quantum evaluation of peptide – MHC class II binding
    Published in 2017
    Repositorio Repositorio EdocUR - U. Rosario
    Subjects: “...Quantum chemistry...”
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  8. 8
    https://purl.org/coar/resource_type/c_6501
    La relevancia de la reconstrucción modelo-teórica para la interpretación de la química cuántica
    Por Martínez-González, Juan Camilo
    Published in 2020
    Repositorio Repositorio U. El Bosque

    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
    http://purl.org/coar/version/c_b1a7d7d4d402bcce
    Implementación de un programa computacional para el cálculo del flujo electrónico en el h2+
    Por Suárez Ruíz, Marlon Daniel
    Published in 2021
    Repositorio Repositorio UIS

    Subjects: “...Quantum chemistry...”
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  11. 11
    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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  12. 12
    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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  13. 13
    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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  14. 14
    Microsolvation of NO3 -: Structural exploration and bonding analysis
    Published in 2016
    Repositorio Repositorio UDEM
    Subjects: “...Quantum chemistry...”
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  15. 15
    Quantum chemical analysis of MHC-peptide interactions for vaccine design
    Published in 2010
    Repositorio Repositorio EdocUR - U. Rosario
    Subjects: “...Quantum chemistry...”
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  16. 16
    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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  17. 17
    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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  18. 18
    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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  19. 19
    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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  20. 20
    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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