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Hirshfeld-I charges: from molecules to solids: implementation, pitfalls and applications
Hirshfeld-I charges: from molecules to solids: implementation, pitfalls and applications
2014
Danny Vanpoucke
Stefaan Cottenier
Toon Verstraelen
Veronique Van Speybroeck
Sofie Van Damme
Patrick Bultinck
Isabel Van Driessche
Keywords:
Molecule
Doping
Inorganic chemistry
Atoms in molecules
Chemistry
Computational chemistry
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