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Firaha, Dzmitry
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1

Predicting crystal form stability under real-world conditio..:

Firaha, Dzmitry ; Liu, Yifei Michelle ; van de Streek, Jacco...
Nature.  623 (2023)  7986 - p. 324-328 , 2023
Link: https://doi.org/10.1038/..
 
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2

Efficient Crystal Structure Prediction for Structurally Rel..:

Mattei, Alessandra ; Hong, Richard S. ; Dietrich, Hanno...
Journal of Chemical Theory and Computation.  18 (2022)  9 - p. 5725-5738 , 2022
Link: https://doi.org/10.1021/..
 
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3

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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4

Monitoring an ionic liquid synthesis with in-situ IR-spectr..:

Ohligschläger, Andreas ; Gertig, Christoph ; Coenen, Dario...
Chemical Engineering Journal.  368 (2019)  - p. 649-658 , 2019
Link: https://doi.org/10.1016/..
 
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5

Ab initio kinetics predictions for H-atom abstraction from ..:

Kröger, Leif C. ; Döntgen, Malte ; Firaha, Dzmitry..
Proceedings of the Combustion Institute.  37 (2019)  1 - p. 275-282 , 2019
Link: https://doi.org/10.1016/..
 
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6

The furan microsolvation blind challenge for quantum chemic..:

Gottschalk, Hannes C. ; Poblotzki, Anja ; Suhm, Martin A....
The Journal of Chemical Physics.  148 (2018)  1 - p. , 2018
Link: https://doi.org/10.1063/..
 
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7

Molecular Approach toward Gases Absorption by Ionic Liquids:

Firaha, Dzmitry , 2017
Link: http://nbn-resolving.de/..
 
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8

Ab initio molecular dynamics simulations of SO 2 solvation ..:

Korotkevich, Alexander ; Firaha, Dzmitry S. ; Padua, Agilio A.H..
Fluid Phase Equilibria.  448 (2017)  - p. 59-68 , 2017
Link: https://doi.org/10.1016/..
 
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9

Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Li..:

Firaha, Dzmitry S. ; Kirchner, Barbara
ChemSusChem.  9 (2016)  13 - p. 1591-1599 , 2016
Link: https://doi.org/10.1002/..
 
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10

Can dispersion corrections annihilate the dispersion-driven..:

Firaha, Dzmitry S. ; Thomas, Martin ; Hollóczki, Oldamur..
The Journal of Chemical Physics.  145 (2016)  20 - p. , 2016
Link: https://doi.org/10.1063/..
 
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11

Inside Cover: Tuning the Carbon Dioxide Absorption in Amino..:

Firaha, Dzmitry S. ; Kirchner, Barbara
ChemSusChem.  9 (2016)  13 - p. 1515-1515 , 2016
Link: https://doi.org/10.1002/..
 
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12

SO2 Solvation in the 1-Ethyl-3-Methylimidazolium Thiocyanat..:

Firaha, Dzmitry S. ; Kavalchuk, Mikhail ; Kirchner, Barbara
Journal of Solution Chemistry.  44 (2015)  3-4 - p. 838-849 , 2015
Link: https://doi.org/10.1007/..
 
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13

Computer-gestütztes Design ionischer Flüssigkeiten zur CO2-..:

Firaha, Dzmitry S. ; Hollóczki, Oldamur ; Kirchner, Barbara
Angewandte Chemie.  127 (2015)  27 - p. 7916-7920 , 2015
Link: https://doi.org/10.1002/..
 
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14

Comprehensive study of the thermodynamic properties for 2-m..:

Zaitsau, Dzmitry ; Paulechka, Eugene ; Firaha, Dzmitry S....
The Journal of Chemical Thermodynamics.  91 (2015)  - p. 459-473 , 2015
Link: https://doi.org/10.1016/..
 
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15

Ion pairing in ionic liquids:

Kirchner, Barbara ; Malberg, Friedrich ; Firaha, Dzmitry S.
Journal of Physics: Condensed Matter.  27 (2015)  46 - p. 463002 , 2015
Link: https://doi.org/10.1088/..
 
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