Ab initio Methods Introduction to Quantum Chemistry Hartree-Fock Theory Thomas-Fermi Theory The local density approximation Multiple Determinant Wavefunctions Configuration Interaction Configuration Interaction 2 CCQC - An Introduction To Configuration Interaction Theory Quadratic Configuration Interaction Coupled Cluster Theory Coupled Cluster Theory 2 Møller-Plesset Perturbation Theory Perturbation Theory Gaussian-2 Theory Density Functional Theory Density Functional Theory 2 Density Functional Theory 3 Density Functional Theory 4 Density Functional Theory 5 Density Functional Theory 6 Nobel Prize In Chemistry To Walter Kohn For Fundamental Work In Density Functional Theory VU Research Group - Department of Theoretical Chemistry SCM: Home of ADF and BAND (Density Functional codes for chemical research) Density Functional Theory And Time-Dependent Density Functional Theory Time-Dependent Density Functional Theory Time-Dependent Density Functional Theory 2 MSC - Time Dependent Density Functional Theory Combined Quantum Mechanical And Molecular Mechanical (QM/MM) Methods Hybrid QM/MM Methods Hybrid QM/MM Methods 2 Methods In Computational Chemistry
Semi-Empirical Methods Semi-Empirical Quantum Chemistry Semi-Empirical Theory Semi-Empirical Hartree Fock Computational Chemistry - CDNO, INDO, NDDO, MINDO, MNDO, AM1, PM3 Complete Neglect Of Differentatial Overlap
Molecular Dynamics Molecular Dynamics Molecular Dynamics 2 Molecular Dynamics 3 Molecular Dynamics 4 Molecular Dynamics 5 Molecular Dynamics 6 Molecular Dynamics 7 Molecular Dynamics 8 A Molecular Dynamics Primer
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Commerical Companies Gaussian Inc: Gaussian 98 Q-Chem, Inc: Q-Chem Schrödinger, Inc: Jaguar Program Wavefunction: Spartan Molecular Simulations Inc: Insight II, Discover Hypercube Inc: HyperChem 6 MDL Information Systems, Inc. ACD/Labs Products WWW Chemistry Sites at Commercial Organizations
Academic Institutions Texas Center For Advanced Molecular Computation Materials and Process Simulation Center Cambridge University Chemical Laboratory Department of Chemistry at Harvard University Chemistry at Emory List of Academic Institutions
Softwares AMBER TINKER Molecular Modeling Package Graphics Interface for OpenMol (gOpenMol) MOLPRO MOLCAS GROMACS CONCOORD Lucretius - Molecular Dynamics Simulation Program ORAC - Molecular Dynamics Program To Simulate Solveted Biomolecules MDynamix - Molecular Dynamics Program 3D Molecular Dynamics Software Software Links Universal Molecular Modeling Software List CSIR: Chemistry Software Exchange Standardization of Computational Chemistry Software Software Houses Molecular Modelling Software Chemdex - Softwares
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