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  1. CCC - The Center for Computational Chemistry

    The Center for Computational Chemistry seeks to develop theorectical and computational methods through mathematical models for describing and understanding the ...
    discussions2
    DOE2
    combustion2
    CCC1
    NSF1
    university of georgia1
    thermodynamics1
    athens georgia1
    computational chemistry1
    ab initio1
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    chemistry software1
    polymer chemistry1
    molecular dynamics1
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    chemical bonding1
    chemical physics1
    density functional theory1
    molecular graphics1
    molecular interactions1
    electronic structure1
    SciDAC1
    solvation1
    conformational analysis1
    molecular geometry1
    CCQC0
    Handy Conference0
    microsolvation0
    quartic force field0
    semiempirical methods0

    www.ccc.uga.edu - 2009-02-07

  2. PrimeColor Software - freeware provider of such as CAESAR 1.0, CAESAR 2.0 and SAMOA 1.0, XT PRO, JFinder to study molecular structure, crystal structure, ...

    Provides freeware such as CAESAR 1.0, CAESAR 2.0, SAMOA 1.0, XT PRO, and JFinder as computational chemistry tools to study molecular structure, crystal ...
    freeware3
    SAMOA1
    CAESAR1
    computational chemistry1
    crystal structure1
    molecular structure1
    electronic structure1
    band structure1
    molecular orbital1
    CAESAR 1.00
    CAESAR 20
    CAESAR 2.00
    JFinder0
    Prime Color0
    SAMOA 1.00
    XT PRO0

    www.primec.com - 2009-02-07

  3. Scienomics, Delivering Science

    MAPS® is a unique software solution that follows user's needs and evolves as their business interests change.
    archives3
    ftp3
    discussions2
    Monte Carlo2
    mail server1
    kinetics1
    combinatorial chemistry1
    computational chemistry1
    drug design1
    molecular modeling1
    ab initio1
    physical chemistry1
    chemistry software1
    polymer chemistry1
    molecular dynamics1
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    macromolecules1
    materials design1
    chemical bonding1
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    molecular mechanics1
    density functional theory1
    molecular graphics1
    molecular interactions1
    electronic structure1
    conformational analysis1
    molecular geometry1
    pharmacophore optimization0
    Scienomics0

    www.scienomics.com - 2009-02-06

  4. QuantumWise

    QuantumWise - Atomistix ToolKit/Virtual NanoLab. Software for atomic-scale simulations of electron structure and transport in nanostructures
    Green4
    non3
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    nanotechnology2
    nanotubes1
    DFT1
    ab initio1
    nanoelectronics1
    spintronics1
    graphene1
    molecular electronics1
    MRAM1
    electronic structure1
    equillibrium1
    NEGF1
    electronic transport1
    quantum transport1
    atomic-scale simulations0
    Atomistix0
    Atomistix ToolKit0
    first-principles0
    TranSIESTA0
    TranSIESTAC0
    TranSIESTA-C0

    www.quantumwise.com - 2009-04-03

  5. CP2K project homepage

    CP2K project page
    help4
    computing2
    chemistry2
    manual2
    physics2
    documentation2
    scientific2
    FIST1
    parallel1
    Quickstep1
    Fortran1
    DFT1
    GPW1
    molecular dynamics1
    force field1
    density functional theory1
    electronic structure1
    linear scaling1
    GAPW0

    cp2k.berlios.de - 2009-02-06

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