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Kopp, Wassja A.
71  Ergebnisse:
Personensuche X
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1

Reaction path identification and validation from molecular ..:

Schmalz, Felix ; Kopp, Wassja A. ; Goudeli, Eirini.
International Journal of Chemical Kinetics.  , 2024
Link: https://doi.org/10.1002/..
 
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2

A Reactive Molecular Dynamics Study of Chlorinated Organic ..:

Komissarov, Leonid ; Krep, Lukas ; Schmalz, Felix...
ChemPhysChem.  24 (2023)  8 - p. , 2023
Link: https://doi.org/10.1002/..
 
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3

Influence of Oxygen Atoms and Ring Strain on the Low-Temper..:

Roy, Indu Sekhar ; Döntgen, Malte ; Huang, Can..
The Journal of Physical Chemistry A.  127 (2023)  13 - p. 2992-2999 , 2023
Link: https://doi.org/10.1021/..
 
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4

Front Cover: A Reactive Molecular Dynamics Study of Chlorin..:

Krep, Lukas ; Schmalz, Felix ; Solbach, Florian...
ChemPhysChem.  24 (2023)  7 - p. , 2023
Link: https://doi.org/10.1002/..
 
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5

DISSOLVE: Database of ionic solutes' solvation free energie:

Nevolianis, Thomas ; Baumann, Matthias ; Viswanathan, Narasimhan..
Fluid Phase Equilibria.  571 (2023)  - p. 113801 , 2023
Link: https://doi.org/10.1016/..
 
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6

A Reactive Molecular Dynamics Study of Chlorinated Organic ..:

Krep, Lukas ; Schmalz, Felix ; Solbach, Florian...
ChemPhysChem.  24 (2023)  7 - p. , 2023
Link: https://doi.org/10.1002/..
 
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7

Improved modeling of anharmonicity for furan microsolvation:

Kopp, Wassja A. ; Mödden, Matthias L. ; Viswanathan, Narasimhan..
Physical Chemistry Chemical Physics.  25 (2023)  16 - p. 11316-11323 , 2023
Link: https://doi.org/10.1039/..
 
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8

A Reactive Molecular Dynamics Study of Chlorinated Organic ..:

Krep, Lukas ; Schmalz, Felix ; Solbach, Florian...
ChemPhysChem.  24 (2023)  7 - p. , 2023
Link: https://doi.org/10.1002/..
 
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9

Automatic Potential Energy Surface Exploration by Accelerat..:

Kopp, Wassja A. ; Huang, Can ; Zhao, Yuqing...
The Journal of Physical Chemistry A.  127 (2023)  50 - p. 10681-10692 , 2023
Link: https://doi.org/10.1021/..
 
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10

Thermal decomposition of 1-ethyl-3-methylimidazolium acetat:

Zaitsau, Dzmitry H. ; Papusha, Maxim ; Kopp, Wassja A..
Journal of Molecular Liquids.  390 (2023)  - p. 123093 , 2023
Link: https://doi.org/10.1016/..
 
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11

Completely Computational Model Setup for Spectroscopic Tech..:

Wöhl, Justus ; Kopp, Wassja A. ; Yevlakhovych, Iryna...
The Journal of Physical Chemistry A.  126 (2022)  18 - p. 2845-2853 , 2022
Link: https://doi.org/10.1021/..
 
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12

Efficient Reaction Space Exploration with ChemTraYzer-TAD:

Krep, Lukas ; Roy, Indu Sekhar ; Kopp, Wassja...
Journal of Chemical Information and Modeling.  62 (2022)  4 - p. 890-902 , 2022
Link: https://doi.org/10.1021/..
 
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13

Coupled Anharmonic Thermochemistry from Stratified Monte Ca..:

Rath, Gabriel ; Kopp, Wassja A. ; Leonhard, Kai
Journal of Chemical Information and Modeling.  61 (2021)  12 - p. 5853-5870 , 2021
Link: https://doi.org/10.1021/..
 
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14

The first microsolvation step for furans: New experiments a..:

Gottschalk, Hannes C. ; Poblotzki, Anja ; Fatima, Mariyam...
The Journal of Chemical Physics.  152 (2020)  16 - p. , 2020
Link: https://doi.org/10.1063/..
 
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15

Updated thermochemistry for renewable transportation fuels:..:

Döntgen, Malte ; Kopp, Wassja A. ; vom Lehn, Florian...
International Journal of Chemical Kinetics.  53 (2020)  2 - p. 299-307 , 2020
Link: https://doi.org/10.1002/..
 
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