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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 115, 2017 - Issue 24
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Research Articles

Minimally corrected partial atomic charges for non-covalent electrostatic interactions

Rebecca Efrat HadadFritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, IsraelView further author information
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Roi BaerFritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, IsraelCorrespondence[email protected]
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Pages 3155-3163 | Received 06 Dec 2016, Accepted 23 Jun 2017, Published online: 20 Jul 2017

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Barak Hirshberg, R. Benny Gerber & Anna I. Krylov. (2018) Autocorrelation of electronic wave-functions: a new approach for describing the evolution of electronic structure in the course of dynamics. Molecular Physics 116:19-20, pages 2512-2523.
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Articles from other publishers (2)

Rafał Podeszwa, Wojciech Jankiewicz, Magdalena Krzuś & Henryk A. Witek. (2019) Correcting long-range electrostatics in DFTB. The Journal of Chemical Physics 150:23.
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Leila Cardoso Carvalho, Mauro Alves Bueno & Boaz Galdino de Oliveira. (2019) The interplay and strength of the π⋯H F, C⋯H F, F⋯H F and F⋯H C hydrogen bonds upon the formation of multimolecular complexes based on C2H2⋯HF and C2H4⋯HF small dimers. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 213, pages 438-455.
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