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International Journal of Quantum Chemistry

Volumn 117, Issue 6, 2017, Pages

Toward more efficient density-based adaptive QM/MM methods

(3) Zheng, Min a Kuriappan, Jissy A a Waller, Mark P a

a UNIVERSITY OF MÜNSTER (Germany)

Author keywords

adaptive multiscale modeling; density based adaptive; noncovalent interactions; Voronoi partitioning

Indexed keywords

IONS; MOLECULAR MODELING; QUANTUM THEORY;

ADAPTIVE PARTITIONING; COVALENT INTERACTIONS; DENSITY-BASED; MULTI-SCALE MODELING; NON-COVALENT INTERACTION; QM/MM CALCULATIONS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; VORONOI;

MOLECULES;

EID: 85006741517 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.25336 Document Type: Article

Times cited : (21)

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