Q-Chem The Q-Chem system brings together a variety of advanced computational methods and tools in an integrated ab initio software package. Q-Chem is the first commercially available quantum chemistry program that is capable of treating large molecules in a practical amount of time, extending the boundaries of application with each new release. A few new features at a glance Analytic Hessians for Hartree-Fock theory Faster and more extensive analytic gradients for SCF and MP2 theory Chemical Solvent Models from ChemSol Seamless interface to Natural Bond Orbital (NBO) package, version 4.0 EDF1 hybrid functional (postscript file, 95KB) Dramatically improved performance for several methods Extensive users manual New and improved text-based input mechanism Increased robustness for several features Platform and user-specific program customization facilities New package-based pricing options for academic customers

Current Version:   1.1 License Type:   Commercial

Home Site: http://www.q-chem.com/ http://www.q-chem.com/Products/Linux.html Source Code Availability:   No Available Binary Packages: Debian Package:   No RedHat RPM Package:   No Other Packages:   ?? Targeted Platforms: UNIX, Linux Software/Hardware Requirements: None

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