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  1. Semen Trygubenko Home Page

    Home page of theoretical chemist Semen Trygubenko
    PES2
    theoretical chemistry1
    double-ended methods0
    doubly-nudged elastic band0
    energy landscapes0
    potential energy surface0
    rearrangement pathways0
    Semen Trygubenko0
    transition state searching0

    www.trygub.com - 2009-02-06

  2. AIM2000

    A program to analyse the properties of atomes in molecules by the theory of R. Bader
    atom2
    chemical analysis1
    molecule1
    bader1
    theoretical chemistry1
    chemical simulation1
    aim20000
    aimpac0
    Atomic basins0
    Atoms in molecules0
    Average Properties0
    Interatomic surfaces0
    Molecular Topology0

    www.aim2000.de - 2009-02-08

  3. Институт Химической Кинетики и Горения СО РАН

    Институт химической кинетики и горения Сибирского отделения Российской академии наук English page Карта сайта Доступ к электронной почте в ИХКГ Изменения на Web-с ...
    combustion2
    aerosol1
    free radicals1
    photochemistry1
    theoretical chemistry1
    chemical kinetics1
    electron spin echo0
    electron spin resounance0
    magnetic field effect0
    nuclear magnetic resounance0
    spin chemistry0
    spin polarization0

    www.kinetics.nsc.ru - 2009-03-07

  4. discontinuity.net

    discontinuity.net serves as home for Davin Potts, information on projects of his, and links to interesting content elsewhere
    Effective2
    Method2
    ferrets1
    distributed computing1
    University of Chicago1
    Potts1
    Davin1
    theoretical chemistry1
    United Devices1
    Hamiltonian1
    Davin Potts1
    effective hamiltonian1
    Hv Method1
    Karl Freed1

    discontinuity.net - 2009-04-09

  5. K P Jensen Research

    news members research references contact DO YOU MODEL PROTEINS? Link to free-energy consistent OPLS-AA force field for proteins DTU COURSE: COORDINATION ...
    chemistry2
    biology2
    computational1
    inorganic chemistry1
    theoretical chemistry1

    www.kpje.com - 2009-02-08

  6. Computational Chemist

    James W. Boughton, computational chemist, scientific programmer, technician and metalworker, electron correlation. Nonlinear optimization.
    modeling3
    foundry2
    Asperger's Syndrome1
    computational chemistry1
    quantum chemistry1
    theoretical chemistry1
    crucible furnace1
    nonlinear optimization1
    john robison1
    look me in the eye1
    correlation energy0
    james boughton0
    jim boughton0
    lc method0
    local correlation0
    nonorthogonal orbitals0
    opcorr0

    www.jameswboughton.com - 2009-02-09

  7. Banned By Gaussian

    Banned By Gaussian Who is Gaussian, Inc.? In the late 1960s and early 1970s, the Pople group at Carnegie-Mellon University began to develop a general purpose ...
    MP35
    MP42
    DFT1
    MP21
    Fock1
    Gaussian1
    Quantum Chemistry1
    Theoretical Chemistry1
    CCSD1
    Perturbation1
    bad science1
    Coupled Cluster1
    Density Functional1
    CCSD T0
    Computation Chemistry0
    Full CI0
    Hartree0
    Moller-Plesset0
    science without scrupples0

    www.bannedbygaussian.org - 2009-04-04

  8. 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

  9. 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

  10. Ross Walker, San Diego Supercomputer Center

    Dr Ross Walker, Applications Scientist, Amber Developer, The Scripps Research Institute and San Diego Supercomputer Center.
    linux5
    alpha2
    Amber2
    phd2
    sgi1
    Clusters1
    Benchmarks1
    Fortran1
    irix1
    Scaling1
    beowulf1
    Distributed Computing1
    Quantum Mechanics1
    Scripps1
    Computational Chemistry1
    Tru641
    Gaussian1
    Imperial College1
    Molecular Dynamics1
    Theoretical Chemistry1
    Massively Parallel1
    Efficient Algorithms1
    Ross Walker1
    Clustered Computing1
    QMMM1
    The Scripps Research Institute1
    Ian Gould0
    LADH0
    Liver Alcohol Dehydrogenase0
    Onsanger Regression Hypothesis0
    Stokes Shift0

    www.rosswalker.co.uk - 2009-04-11

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