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Doemer, Manuel
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1

In situparameterisation of SCC-DFTB repulsive potentials by..:

Doemer, Manuel ; Liberatore, Elisa ; Knaup, Jan M...
Molecular Physics.  111 (2013)  22-23 - p. 3595-3607 , 2013
Link: https://doi.org/10.1080/..
 
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2

Generalized QM/MM Force Matching Approach Applied to the 11..:

Doemer, Manuel ; Maurer, Patrick ; Campomanes, Pablo..
Journal of Chemical Theory and Computation.  10 (2013)  1 - p. 412-422 , 2013
Link: https://doi.org/10.1021/..
 
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3

Photodynamics of Lys+-Trp protein motifs: Hydrogen bonds en..:

Guglielmi, Matteo ; Doemer, Manuel ; Tavernelli, Ivano.
Faraday Discussions.  163 (2013)  - p. 189 , 2013
Link: https://doi.org/10.1039/..
 
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4

Assessing the performance of computational methods for the ..:

Doemer, Manuel ; Guglielmi, Matteo ; Athri, Prashanth...
International Journal of Quantum Chemistry.  113 (2012)  6 - p. 808-814 , 2012
Link: https://doi.org/10.1002/..
 
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5

Intricacies of Describing Weak Interactions Involving Halog..:

Doemer, Manuel ; Tavernelli, Ivano ; Rothlisberger, Ursula
Journal of Chemical Theory and Computation.  9 (2012)  2 - p. 955-964 , 2012
Link: https://doi.org/10.1021/..
 
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6

Pushing the Frontiers of First-Principles Based Computer Si..:

Brunk, Elizabeth ; Tavernelli, Ivano ; Vanni, Stefano...
CHIMIA.  65 (2011)  9 - p. 667 , 2011
Link: https://doi.org/10.2533/..
 
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7

Cold‐Ion Spectroscopy Reveals the Intrinsic Structure of a ..:

Nagornova, Natalia S. ; Guglielmi, Matteo ; Doemer, Manuel...
Angewandte Chemie International Edition.  50 (2011)  23 - p. 5383-5386 , 2011
Link: https://doi.org/10.1002/..
 
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8

Kalte Ionenspektroskopie zur Lösung der Gasphasenstruktur e..:

Nagornova, Natalia S. ; Guglielmi, Matteo ; Doemer, Manuel...
Angewandte Chemie.  123 (2011)  23 - p. 5495-5498 , 2011
Link: https://doi.org/10.1002/..
 
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9

Pushing the Frontiers of First-Principles Based Computer Si..:

Brunk, Elizabeth ; Tavernelli, Ivano ; Vanni, Stefano...
https://www.chimia.ch/chimia/article/view/2011_667/4365.  , 2011
Link: https://www.chimia.ch/ch..
 
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10

Pushing the Frontiers of First-Principles Based Computer Si..:

Elizabeth Brunk ; Ivano Tavernelli ; Stefano Vanni...
https://www.chimia.ch/chimia/article/view/5075.  , 2011
Link: https://doi.org/10.2533/..
 
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11

Is It Ops That Make Data Science Scientific?:

Doemer, David ; Kempf, Manuel
https://publikationen.bibliothek.kit.edu/1000150238.  , 2022
Link: https://publikationen.bi..
 
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