Partial atomic multipoles for internally consistent microelectrostatic calculations-Reference-Cited by-同舟云学术

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Partial atomic multipoles for internally consistent microelectrostatic calculations

Published:2017-08-02 Issue:28 Volume:38 Page:2420-2429
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Snamina Mateusz¹,Mazur Grzegorz²,Petelenz Piotr¹^ORCID

Affiliation:

1. Faculty of Chemistry; The K. Gumiński Department of Theoretical Chemistry, Jagiellonian University; Ingardena 3, Kraków 30-060 Poland

2. Faculty of Chemistry; Department of Computational Methods in Chemistry, Jagiellonian University; Ingardena 3, Kraków 30-060 Poland

Funder

European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference35 articles.

1. Z. G. Soos E. V. Tsiper R. A. Pascal Jr. 2001 342 652

2. Charge redistribution and polarization energy of organic molecular crystals

3. Electronic polarization in pentacene crystals and thin films

4. Electronic Polarization in Organic Crystals: A Comparative Study of Induced Dipoles and Intramolecular Charge Redistribution Schemes

5. Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

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