QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks fromab initioinput-Reference-Cited by-同舟云学术

QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks fromab initioinput

Published:2015-03-05 Issue:13 Volume:36 Page:1015-1027
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Vanduyfhuys Louis¹,Vandenbrande Steven¹,Verstraelen Toon¹,Schmid Rochus²,Waroquier Michel¹,Van Speybroeck Veronique¹

Affiliation:

1. Center for Molecular Modeling (CMM); Ghent University; Technologiepark 903 9052 Zwijnaarde Belgium

2. Lehrstul für Anorganische Chemie 2, Organometallics and Materials Chemistry; Ruhr-Universität Bochum; Universitätsstrasse 150 D-44780 Bochum Germany

Funder

Fonds Wetenschappelijk Onderzoek

Federaal Wetenschapsbeleid

European Research Council

Research Board of Ghent University (BOF)

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23877/fullpdf

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