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Page 1
TURBOMOLE: Today and Tomorrow.
Franzke YJ, Holzer C, Andersen JH, Begušić T, Bruder F, Coriani S, Della Sala F, Fabiano E, Fedotov DA, Fürst S, Gillhuber S, Grotjahn R, Kaupp M, Kehry M, Krstić M, Mack F, Majumdar S, Nguyen BD, Parker SM, Pauly F, Pausch A, Perlt E, Phun GS, Rajabi A, Rappoport D, Samal B, Schrader T, Sharma M, Tapavicza E, Treß RS, Voora V, Wodyński A, Yu JM, Zerulla B, Furche F, Hättig C, Sierka M, Tew DP, Weigend F. Franzke YJ, et al. Among authors: perlt e. J Chem Theory Comput. 2023 Oct 24;19(20):6859-6890. doi: 10.1021/acs.jctc.3c00347. Epub 2023 Jun 29. J Chem Theory Comput. 2023. PMID: 37382508 Free PMC article. Review.
H2 Open - Guest Editorial.
Barboiu M, Kirchner B, Perlt E, Scarso A. Barboiu M, et al. Among authors: perlt e. ChemistryOpen. 2023 Jun 6:e202300072. doi: 10.1002/open.202300072. Online ahead of print. ChemistryOpen. 2023. PMID: 37279370 Free article.
Koopmans' theorem for acidic protons.
Schrader T, Khanifaev J, Perlt E. Schrader T, et al. Among authors: perlt e. Chem Commun (Camb). 2023 Nov 21;59(93):13839-13842. doi: 10.1039/d3cc04304e. Chem Commun (Camb). 2023. PMID: 37921279
Predicting Mole-Fraction-Dependent Dissociation for Weak Acids.
Blasius J, Ingenmey J, Perlt E, von Domaros M, Hollóczki O, Kirchner B. Blasius J, et al. Among authors: perlt e. Angew Chem Int Ed Engl. 2019 Mar 4;58(10):3212-3216. doi: 10.1002/anie.201811839. Epub 2019 Feb 1. Angew Chem Int Ed Engl. 2019. PMID: 30589171
Predicting the Ionic Product of Water.
Perlt E, von Domaros M, Kirchner B, Ludwig R, Weinhold F. Perlt E, et al. Sci Rep. 2017 Aug 31;7(1):10244. doi: 10.1038/s41598-017-10156-w. Sci Rep. 2017. PMID: 28860533 Free PMC article.
21 results