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  1. TURBOMOLE Forum - Index

    TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications ...
    properties5
    theory2
    quantum2
    spectra1
    simulations1
    calculations1
    nmr1
    dft1
    molecules1
    theoretical1
    ab initio1
    molecular dynamics1
    quantum chemistry1
    theoretical chemistry1
    density functional theory1
    hartree fock1
    molecular properties1
    turbomole1
    vibraions1

    www.turbo-forum.com - 2009-02-10

  2. TURBOMOLE - Program Package for ab initio Electronic Structure Calculations

    TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications ...
    properties5
    theory2
    quantum2
    spectra1
    simulations1
    calculations1
    nmr1
    dft1
    molecules1
    theoretical1
    ab initio1
    molecular dynamics1
    quantum chemistry1
    theoretical chemistry1
    density functional theory1
    hartree fock1
    molecular properties1
    turbomole1
    vibraions1

    www.turbomole-gmbh.com - 2009-02-09

  3. 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

  4. Sherrill Group

    Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological ...
    computers4
    programming4
    atlanta4
    chemistry2
    theory2
    mechanics2
    quantum2
    psi2
    computational1
    Georgia Tech1
    dft1
    acetylene1
    scf1
    sherrill1
    cisd1
    molecular modeling1
    gaussian1
    ccsd1
    density functional theory1
    aces II1
    gaussian981
    q-chem1
    C. David1
    coupled cluster1
    g941
    aces 20
    basis sets0
    C. D. Sherrill0
    configuration interaction0
    gaussian940
    hartree-fock0

    vergil.chemistry.gatech.edu - 2009-03-04

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