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Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications
Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications
2013
Danny E. P. Vanpoucke
Sofie Van Damme
Stefaan Cottenier
Patrick Bultinck
Isabel Van Driessche
Veronique Van Speybroeck
Keywords:
Atoms in molecules
Chemical physics
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