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Mostrando 1 - 20 Resultados de 38 Para Buscar '"computational chemistry"', tiempo de consulta: 0.07s Limitar resultados
  1. 1
    Computers & chemistry
    Publicado 1976
    “...Computers & chemistry (Online)...”
    Available in Academic Search Premier.
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  2. 2
    Journal of computational chemistry
    Materias: “...Computational chemistry Periodicals....”
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  3. 3
    Journal of theoretical & computational chemistry
    Publicado 2002
    “...Journal of theoretical & computational chemistry (Online)...”
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  4. 4
    Application of computational chemistry in chemical reactivity: a review
    “... the introduction of computational chemistry which is mostly used when a mathematical method is fully well built...”
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  5. 5
    Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology
    “... and computational chemistry tools to store, standardize, analyze, and visualize nanobiotechnological information...”
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  6. 6
    Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage
    por Qi Zhang, Abhishek Khetan, Süleyman Er
    Publicado 2020
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  7. 7
    Role of Basic Surface Groups of Activated Carbon in Chlordecone and β-Hexachlorocyclohexane Adsorption: A Molecular Modelling Study
    Materias: “...computational chemistry...”
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  8. 8
    Structure and IR Spectroscopic Properties of HNCO Complexes with SO<sub>2</sub> Isolated in Solid Argon
    Materias: “...computational chemistry...”
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  9. 9
    Interpretation of Single-Molecule Force Experiments on Proteins Using Normal Mode Analysis
    por Jacob Bauer, Gabriel Žoldák
    Publicado 2021
    Materias: “...computational chemistry...”
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  10. 10
    Theoretical chemistry accounts
    Publicado 1997
    Materias: “...Computational chemistry. gtt...”
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  11. 11
    Evidence for Quantum Chemical Effects in Receptor-Ligand Binding Between Integrin and Collagen Fragments — A Computational Investigation With an Impact on Tissue Repair, Neurooncolgy and Glycobiology
    Materias: “...computational chemistry...”
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  12. 12
    Infrared Spectroscopic Analysis of Sub-Monolayer Perfluoropolyether Films Based on the &mdash;[(CF2)nO]&ndash; Monomer Unit for n = 2, 3 and 4
    por Robert J. Waltman
    Publicado 2014
    Materias: “...ab initio computational chemistry...”
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  13. 13
    Prediction of Pressure-Viscosity Coefficient of Mixtures
    Materias: “...computational chemistry...”
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  14. 14
    A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase
    Materias: “...computational chemistry...”
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  15. 15
    Computation sparks chemical discovery
    Publicado 2020
    “...Computational chemistry methods with an optimal balance between predictive accuracy...”
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  16. 16
    Towards first-principles molecular design of liquid crystal-based chemoresponsive systems
    “... a computational chemistry model for describing the detection of a warfare agent by liquid crystals...”
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  17. 17
    Exploring the octanol–water partition coefficient dataset using deep learning techniques and data augmentation
    por Nadin Ulrich, Kai-Uwe Goss, Andrea Ebert
    Publicado 2021
    “...Deep neural networks are potent tools for computational chemistry, but experimental feed data can...”
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  18. 18
    Artificial intelligence-enhanced quantum chemical method with broad applicability
    “... methods and create a new general-purpose method for computational chemistry simulations with high accuracy...”
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  19. 19
    Retrospective on a decade of machine learning for chemical discovery
    “... learning models in the field of computational chemistry by considering selected studies of electronic...”
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  20. 20
    Machine learning with physicochemical relationships: solubility prediction in organic solvents and water
    “... to solubility prediction in organic solvents and water using combination of machine learning and computational...”
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