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Perlt, Eva
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1

The effect of machine learning predicted anharmonic frequen..:

Khanifaev, Jamoliddin ; Schrader, Tim ; Perlt, Eva
The Journal of Chemical Physics.  160 (2024)  12 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

TURBOMOLE: Today and Tomorrow:

Franzke, Yannick J. ; Holzer, Christof ; Andersen, Josefine H....
Journal of Chemical Theory and Computation.  19 (2023)  20 - p. 6859-6890 , 2023
Link: https://doi.org/10.1021/..
 
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3

H2Open – Guest Editorial:

Barboiu, Mihail ; Kirchner, Barbara ; Perlt, Eva.
ChemistryOpen.  13 (2023)  5 - p. , 2023
Link: https://doi.org/10.1002/..
 
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4

Performance of Common Density Functionals for Excited State..:

Schrader, Tim ; Perlt, Eva ; Fritz, Torsten.
The Journal of Physical Chemistry A.  127 (2023)  15 - p. 3265-3273 , 2023
Link: https://doi.org/10.1021/..
 
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5

Koopmans' theorem for acidic protons:

Schrader, Tim ; Khanifaev, Jamoliddin ; Perlt, Eva
Chemical Communications.  59 (2023)  93 - p. 13839-13842 , 2023
Link: https://doi.org/10.1039/..
 
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6

The Ionic Product of Water in the Eye of the Quantum Cluste..:

Kirchner, Barbara ; Ingenmey, Johannes ; von Domaros, Michael.
Molecules.  27 (2022)  4 - p. 1286 , 2022
Link: https://doi.org/10.3390/..
 
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7

Molecular Orientation at the Squalene/Air Interface from Su..:

von Domaros, Michael ; Liu, Yangdongling ; Butman, Jana L....
The Journal of Physical Chemistry B.  125 (2021)  15 - p. 3932-3941 , 2021
Link: https://doi.org/10.1021/..
 
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8

Benchmarking the Computational Costs and Quality of Vibrati..:

Taherivardanjani, Shima ; Elfgen, Roman ; Reckien, Werner...
Advanced Theory and Simulations.  5 (2021)  1 - p. , 2021
Link: https://doi.org/10.1002/..
 
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9

Basis Sets in Computational Chemistry 

Lecture Notes in Chemistry, 107
Perlt, Eva - 1st ed. 2021 . , 2021
Link: https://doi.org/10.1007/..
 
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10

Strong Ferromagnetic Exchange Coupling and Single-Molecule ..:

Darago, Lucy E. ; Boshart, Monica D. ; Nguyen, Brian D....
Journal of the American Chemical Society.  143 (2021)  22 - p. 8465-8475 , 2021
Link: https://doi.org/10.1021/..
 
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11

TURBOMOLE: Modular program suite for ab initio quantum-chem..:

Balasubramani, Sree Ganesh ; Chen, Guo P. ; Coriani, Sonia...
The Journal of Chemical Physics.  152 (2020)  18 - p. , 2020
Link: https://doi.org/10.1063/..
 
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12

Predicting Mole‐Fraction‐Dependent Dissociation for Weak Ac..:

Blasius, Jan ; Ingenmey, Johannes ; Perlt, Eva...
Angewandte Chemie International Edition.  58 (2019)  10 - p. 3212-3216 , 2019
Link: https://doi.org/10.1002/..
 
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13

Dissoziation schwacher Säuren über den gesamten Molenbruchb..:

Blasius, Jan ; Ingenmey, Johannes ; Perlt, Eva...
Angewandte Chemie.  131 (2019)  10 - p. 3245-3249 , 2019
Link: https://doi.org/10.1002/..
 
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14

Anharmonicity of Vibrational Modes in Hydrogen Chloride–Wat..:

Perlt, Eva ; Berger, Sarah A. ; Kelterer, Anne-Marie.
Journal of Chemical Theory and Computation.  15 (2019)  4 - p. 2535-2547 , 2019
Link: https://doi.org/10.1021/..
 
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15

Peacemaker 2: Making clusters talk about binary mixtures an..:

von Domaros, Michael ; Perlt, Eva ; Ingenmey, Johannes..
SoftwareX.  7 (2018)  - p. 356-359 , 2018
Link: https://doi.org/10.1016/..
 
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