Search Results - "computational chemistry"

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  1. 1
    Computational chemistry introduction to the theory and applications of molecular and quantum mechanics /

    Computational chemistry introduction to the theory and applications of molecular and quantum mechanics / by Lewars, Errol

    Published 2003
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  2. 2
    Computational chemistry reviews of current trends /

    Computational chemistry reviews of current trends /

    Published 2003
    An electronic book accessible through the World Wide Web; click to view
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  3. 3
    Computational chemistry reviews of current trends. Vol. 9 /

    Computational chemistry reviews of current trends. Vol. 9 /

    Published 2005
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  4. 4
    Computational chemistry reviews of current trends.

    Computational chemistry reviews of current trends.

    Published 2006
    “…Computational chemistry ;…”
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  5. 5
    Computational chemistry reviews of current trends.

    Computational chemistry reviews of current trends.

    Published 2001
    “…Computational chemistry ;…”
    An electronic book accessible through the World Wide Web; click to view
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  6. 6
    Reviews in computational chemistry.

    Reviews in computational chemistry.

    Published 2007
    “…Reviews in computational chemistry ;…”
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  7. 7
    Molecular electromagnetism a computational chemistry approach /

    Molecular electromagnetism a computational chemistry approach / by Sauer, Stephan P. A.

    Published 2011
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  8. 8
    Mathematical challenges from theoretical/computational chemistry

    Mathematical challenges from theoretical/computational chemistry

    Published 1995
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  9. 9
    Thermodynamics in Mineral Sciences An Introduction /

    Thermodynamics in Mineral Sciences An Introduction / by Cemi, Ladislav

    Published 2005
    Subjects: “…Theoretical and Computational Chemistry.…”
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  10. 10
    Journal of Cheminformatics

    Journal of Cheminformatics

    Subjects: “…Theoretical and Computational Chemistry.…”
    Open Access
    Electronic Journal
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  11. 11
    Recent advances in density functional methods.

    Recent advances in density functional methods.

    Published 2002
    “…Recent advances in computational chemistry ;…”
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  12. 12
    Recent advances in quantum Monte Carlo methods.

    Recent advances in quantum Monte Carlo methods.

    Published 2002
    “…Recent advances in computational chemistry ;…”
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  13. 13
    Recent advances in relativistic molecular theory

    Recent advances in relativistic molecular theory

    Published 2004
    “…Recent advances in computational chemistry ;…”
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  14. 14
    Recent progress in orbital-free density functional theory

    Recent progress in orbital-free density functional theory

    Published 2013
    “…Recent advances in computational chemistry ;…”
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  15. 15
    Pragmatic virtual fragment-based ligand design

    Pragmatic virtual fragment-based ligand design

    Published 2011
    Table of Contents: “…Contents: Computational chemistry for fragment replacement, fragment evolution/growing/merging & linking -- Bioisostere replacement -- Software assistance for SAR optimisation for medicinal chemists -- Lead optimisation software.…”
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  16. 16
    AI and big data in drug discovery

    AI and big data in drug discovery

    Published 2019
    Table of Contents: “…Contents: Target discovery from patient data, AI and bioinformatics -- Lead discovery from target data, AI and computational chemistry -- Predicting toxicity and Pk using AI -- Choosing the right algorithms for your question.…”
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  17. 17
    Beyond the molecular frontier challenges for chemistry and chemical engineering /

    Beyond the molecular frontier challenges for chemistry and chemical engineering /

    Published 2003
    Table of Contents: “…Chemical theory and computer modeling from computational chemistry to process systems engineering -- 7. …”
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  18. 18
    LC-NMR : expanding the limits of structure elucidation /

    LC-NMR : expanding the limits of structure elucidation / by Gonnella, Nina C.

    Published 2020
    Taylor & Francis
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  19. 19
    INTRODUCTORY ORGANIC CHEMISTRY AND HYDROCARBONS : a physical chemistry approach.

    INTRODUCTORY ORGANIC CHEMISTRY AND HYDROCARBONS : a physical chemistry approach. by Lima Firme, Caio

    Published 2019
    Taylor & Francis
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  20. 20
    Computational methods for large systems electronic structure approaches for biotechnology and nanotechnology /

    Computational methods for large systems electronic structure approaches for biotechnology and nanotechnology /

    Published 2011
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