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Hydrogen Bond Guanine-Cytosine


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

Welcome

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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Research



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