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Exploiting the quantum mechanically derived force field for functional materials simulations | npj Computational Materials
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Molecular and Quantum Mechanics in drug design
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method | Journal of Chemical Information and Modeling
Course 1: Introduction Warren J. Hehre, A Guide to Molecular Mechanics and Quantum Chemical Calculations, Wavefunction, Inc Von Karman Ave., Suite. - ppt download
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A Guide to Molecular Mechanics and Quantum Chemical Calculations in pdf - Science
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Quantum chemical calculations, molecular dynamics simulation and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 1: Mono-azo dye derivatives - ScienceDirect
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