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molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software

Journal Article published 21 Feb 2018 in Journal of Computational Chemistry volume 39 issue 19 on pages 1344 to 1353

Research funded by European Union (POCI/01/0145/FEDER/007728) | Fundação para a Ciência e a Tecnologia (PT2020, UID/MULTI/04378/2013, NORTE-01-0145-FEDER-000024, IF/01310/2013) | Norte Portugal Regional Operational Programme (NORTE 2020) | the Fundação para a Ciência e Tecnologia (SFRH/BD/115396/2016)

Authors: Henrique S. Fernandes, Maria J. Ramos, Nuno M. F. S. A. Cerqueira