QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis - Concepedia

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QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

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Citations

96

References

2003

Year

Paul Sherwood, Alex H. de Vries, Martyn F. Guest, Georg Schreckenbach, C. Richard A. Catlow, Samuel A. French, Alexey A. Sokol, Stefan T. Bromley, Walter Thiel, Alex Turner,

Journal of Molecular Structure THEOCHEM

Chemical EngineeringEngineeringIndustrial CatalysisQm/mm ApproachNatural SciencesHeterogeneous CatalysisCatalysisComputational ChemistryQuantum ChemistryChemistryHomogeneous CatalysisReaction ProcessMolecular CatalysisChemical KineticsGeneral Purpose Implementation

References

	Year	Citations

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