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The cyclic cluster model at Hartree-Fock level.
Peintinger MF, Bredow T. Peintinger MF, et al. Among authors: bredow t. J Comput Chem. 2014 Apr 30;35(11):839-46. doi: 10.1002/jcc.23550. Epub 2014 Feb 7. J Comput Chem. 2014. PMID: 24643813
BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations.
Vilela Oliveira D, Laun J, Peintinger MF, Bredow T. Vilela Oliveira D, et al. Among authors: bredow t. J Comput Chem. 2019 Oct 15;40(27):2364-2376. doi: 10.1002/jcc.26013. Epub 2019 Jul 1. J Comput Chem. 2019. PMID: 31260123
Revised versions of our published pob-TZVP [Peintinger, M. F.; Oliveira, D. V. and Bredow, T., J. Comput. Chem., 2013, 34 (6), 451-459.] and unpublished pob-DZVP basis sets, denoted as pob-TZVP-rev2 and pob-DZVP-rev2, have been derived for the elements HBr. ...
Revised versions of our published pob-TZVP [Peintinger, M. F.; Oliveira, D. V. and Bredow, T., J. Comput. Chem., 2013, 34 (6), …
101 results