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Efficient implicit solvation method for full potential DFT

Title data

Sinstein, Markus ; Scheurer, Christoph ; Matera, Sebastian ; Blum, Volker ; Reuter, Karsten ; Oberhofer, Harald:
Efficient implicit solvation method for full potential DFT.
In: Journal of Chemical Theory and Computation. Vol. 13 (2017) Issue 11 . - pp. 5582-5603.
ISSN 1549-9626
DOI: https://doi.org/10.1021/acs.jctc.7b00297

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) - Univ.-Prof. Dr. Harald Oberhofer
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
Date Deposited: 26 Jan 2022 07:38
Last Modified: 17 Feb 2022 12:38
URI: https://eref.uni-bayreuth.de/id/eprint/68482