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Hydrogen Bond Guanine-Cytosine

Exploring and developing
predictive methods to aid
novel materials design,
drug discovery and development.


CleveTheoComp LLC is a research organization focused on the application of computational methods to the discovery and understanding of molecular properties and the development of techniques for predicting molecular reactive behavior, with the aim of contributing to the design of new materials, drug discovery and development.

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Molecular Interactions Nanomaterials Reaction Force Analysis Energetic Materials

Molecular interactions Nanomaterials Reaction force analysis Energetic materials

Average Localization Energy Electrostatic Potentials

Average Local Ionization Energy Electrostatic Potential