ab initio Computational Chemistry

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A set of computational chemistry modules and programs to perform ab initio calculations of various properties of small molecules.

The system will use GRID technology for large computations.

The system will use C++ and Qt, running on Win32 and Linux

ab initio Computational Chemistry Web Site

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Additional Project Details



Intended Audience

Education, End Users/Desktop, Science/Research

User Interface

KDE, Win32 (MS Windows)

Programming Language

C++, Delphi/Kylix, Fortran


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