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Bande, Annika
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1

Photo-excited charge transfer from adamantane to electronic..:

Wang, Xiangfei ; Krause, Pascal ; Kirschbaum, Thorren...
Physical Chemistry Chemical Physics.  26 (2024)  10 - p. 8158-8176 , 2024
Link: https://doi.org/10.1039/..
 
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2

Accelerating wavepacket propagation with machine learning:

Singh, Kanishka ; Lee, Ka Hei ; Peláez, Daniel.
Journal of Computational Chemistry.  , 2024
Link: https://doi.org/10.1002/..
 
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3

Interatomic Coulombic electron capture: the story so far:

Bande, Annika ; Fasshauer, Elke ; Molle, Axel...
Journal of Physics B: Atomic, Molecular and Optical Physics.  56 (2023)  23 - p. 232001 , 2023
Link: https://doi.org/10.1088/..
 
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4

Hydration Structure of Diamondoids from Reactive Force Fiel..:

Palczynski, Karol ; Kirschbaum, Thorren ; Bande, Annika.
The Journal of Physical Chemistry C.  127 (2023)  6 - p. 3217-3227 , 2023
Link: https://doi.org/10.1021/..
 
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5

How Regiochemistry Influences Aggregation Behavior and Char..:

Schütze, Yannik ; Gayen, Diptesh ; Palczynski, Karol...
ACS Nano.  17 (2023)  8 - p. 7889-7900 , 2023
Link: https://doi.org/10.1021/..
 
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6

Integrating Explainability into Graph Neural Network Models..:

Kotobi, Amir ; Singh, Kanishka ; Höche, Daniel...
Journal of the American Chemical Society.  145 (2023)  41 - p. 22584-22598 , 2023
Link: https://doi.org/10.1021/..
 
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7

Ground and excited state charge transfer at aqueous nanodia..:

Kirschbaum, Thorren ; Wang, Xiangfei ; Bande, Annika
Journal of Computational Chemistry.  45 (2023)  11 - p. 710-718 , 2023
Link: https://doi.org/10.1002/..
 
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8

Jellyfish: A modular code for wave function‐based electron ..:

Langkabel, Fabian ; Krause, Pascal ; Bande, Annika
WIREs Computational Molecular Science.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1002/..
 
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9

Machine Learning Frontier Orbital Energies of Nanodiamonds:

Kirschbaum, Thorren ; von Seggern, Börries ; Dzubiella, Joachim..
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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10

Effects of oxidative adsorbates and cluster formation on th..:

Kirschbaum, Thorren ; Petit, Tristan ; Dzubiella, Joachim.
Journal of Computational Chemistry.  43 (2022)  13 - p. 923-929 , 2022
Link: https://doi.org/10.1002/..
 
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11

Making optical excitations visible – An exciton wavefunctio..:

Langkabel, Fabian ; Albrecht, Paul Anton ; Bande, Annika.
Chemical Physics.  557 (2022)  - p. 111502 , 2022
Link: https://doi.org/10.1016/..
 
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12

Theoretical chemistry and quantum dynamics at interfaces: C..:

Bande, Annika ; González, Leticia ; Klamroth, Tillmann.
Chemical Physics.  558 (2022)  - p. 111509 , 2022
Link: https://doi.org/10.1016/..
 
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13

Constructing Binder‐ and Carbon Additive‐Free Organosulfur ..:

Ning, Jiaoyi ; Yu, Hongtao ; Mei, Shilin...
ChemSusChem.  15 (2022)  14 - p. , 2022
Link: https://doi.org/10.1002/..
 
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14

Quantum-Compute Algorithm for Exact Laser-Driven Electron D..:

Langkabel, Fabian ; Bande, Annika
Journal of Chemical Theory and Computation.  18 (2022)  12 - p. 7082-7092 , 2022
Link: https://doi.org/10.1021/..
 
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15

Three-Electron Dynamics of the Interparticle Coulombic Deca..:

Schäfer, Joana-Lysiane ; Langkabel, Fabian ; Bande, Annika
Molecules.  27 (2022)  24 - p. 8713 , 2022
Link: https://doi.org/10.3390/..
 
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