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Jakob Kraus

insitut für theoretische physik, tu bergakademie freiberg, leipziger straße 23, 09599 freiberg, germany

7H指数
23论文数
111被引数
收录论文 9
发表时间
A thermodynamic assessment of the decomposition and rehydrogenation of o1-Ba(BH4)2 based on DFT calculations and correlation functions基于DFT计算和相关函数对o1-Ba(BH4)2分解与再氢化的热力学评估
err2025-08-11
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errOAAI
errKonrad Burkmann; Markus Mehlhorn; Angus Demmer; Jakob Kraus; Franziska Habermann; Jürgen Seidel; Klaus Bohmhammel; Jens Kortus; Florian Mertens
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Thermodynamic and kinetic study of the thermal dehydrogenation of Sr(AlH4)2 taking into account the by-products NaCl and LiCl考虑副产物NaCl和LiCl的Sr(AlH4)2热脱氢的热力学和动力学研究
err2024-04-01
err3
errOAAI
errHabermann, Franziska; Burkmann, Konrad; Kraus, Jakob; Storr, Bianca; Seidel, Juergen; Kortus, Jens; Gumeniuk, Roman; Bohmhammel, Klaus; Mertens, Florian
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Solvent-Directed Self-Assembly of (Aqua)Zinc Phthalocyanine in Crystal Solvates and Its Manifestation in Optical Properties
err2023-10-25
err1
PREAI
errKataeva, Olga; Doctor, Louis Philip; Latypov, Shamil; Ivshin, Kamil; Metlushka, Kirill; Fedonin, Anton; Kraus, Jakob; Naumann, Marco; Kortus, Jens; Knupfer, Martin
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Testing Self-Interaction Correction for Molecules in Solution
err2021-07-31
err0
errOAAI
errKraus, Jakob; Schwalbe, Sebastian; Trepte, Kai; Kortus, Jens
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PyFLOSIC: Python-based Fermi-Lowdin orbital self-interaction correction
err2020-08-24
err20
errOAAI
errSchwalbe, Sebastian; Fiedler, Lenz; Kraus, Jakob; Kortus, Jens; Trepte, Kai; Lehtola, Susi
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Interpretation and Automatic Generation of Fermi-Orbital Descriptors
err2019-09-10
err31
errOAAI
errSchwalbe, Sebastian; Trepte, Kai; Fiedler, Lenz; Johnson, Alex, I; Kraus, Jakob; Hahn, Torsten; Peralta, Juan E.; Jackson, Koblar A.; Kortus, Jens
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