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Nature Communications
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June 2, 2022
Reliable crystal structure predictions from first principles
Rahul Nikhar, Krzysztof Szalewicz
Journal of Chemical Theory and Computation
|
October 10, 2025
A Reliable and Inexpensive Flexible Molecule Crystal Structure Prediction Protocol Based on First Principles
Rahul Nikhar, Krzysztof Szalewicz
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2022
Factors influencing hydrogen peroxide versus water inclusion in molecular crystals
Ren A Wiscons, Rahul Nikhar, Krzysztof Szalewicz, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
December 2, 2024
Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles
Rahul Nikhar, Rafał Podeszwa, Atta U Rehman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Nature Communications
|
June 2, 2022
Reliable crystal structure predictions from first principles
Rahul Nikhar, Krzysztof Szalewicz
Journal of Chemical Theory and Computation
|
October 10, 2025
A Reliable and Inexpensive Flexible Molecule Crystal Structure Prediction Protocol Based on First Principles
Rahul Nikhar, Krzysztof Szalewicz
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2022
Factors influencing hydrogen peroxide versus water inclusion in molecular crystals
Ren A Wiscons, Rahul Nikhar, Krzysztof Szalewicz, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
December 2, 2024
Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles
Rahul Nikhar, Rafał Podeszwa, Atta U Rehman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
Page
of 1