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Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor<sup>®</sup>)
Jacco van de Streek, Dzmitry Firaha, James A Kaduk, et al.
Journal of Chemical Theory and Computation
|
August 5, 2022
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields
Alessandra Mattei, Richard S Hong, Hanno Dietrich, et al.
Journal of the American Chemical Society
|
December 10, 2025
A Conceptual Framework for the Crystallizability of Organic Compounds
Jacco van de Streek, Hanno Dietrich, Dzmitry Firaha, et al.
Nature
|
November 8, 2023
Predicting crystal form stability under real-world conditions
Dzmitry Firaha, Yifei Michelle Liu, Jacco van de Streek, et al.
The Journal of Chemical Physics
|
January 8, 2018
The furan microsolvation blind challenge for quantum chemical methods: First steps
Hannes C Gottschalk, Anja Poblotzki, Martin A Suhm, et al.
The Journal of Chemical Physics
|
May 3, 2020
The first microsolvation step for furans: New experiments and benchmarking strategies
Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, et al.
Crystal Growth & Design
|
January 12, 2026
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs
William P Wood, Mihails Arhangelskis, Erika Bartůňková, 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 9) with videos related to
Sort By:
Page
of 1
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor<sup>®</sup>)
Jacco van de Streek, Dzmitry Firaha, James A Kaduk, et al.
Journal of Chemical Theory and Computation
|
August 5, 2022
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields
Alessandra Mattei, Richard S Hong, Hanno Dietrich, et al.
Journal of the American Chemical Society
|
December 10, 2025
A Conceptual Framework for the Crystallizability of Organic Compounds
Jacco van de Streek, Hanno Dietrich, Dzmitry Firaha, et al.
Nature
|
November 8, 2023
Predicting crystal form stability under real-world conditions
Dzmitry Firaha, Yifei Michelle Liu, Jacco van de Streek, et al.
The Journal of Chemical Physics
|
January 8, 2018
The furan microsolvation blind challenge for quantum chemical methods: First steps
Hannes C Gottschalk, Anja Poblotzki, Martin A Suhm, et al.
The Journal of Chemical Physics
|
May 3, 2020
The first microsolvation step for furans: New experiments and benchmarking strategies
Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, et al.
Crystal Growth & Design
|
January 12, 2026
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs
William P Wood, Mihails Arhangelskis, Erika Bartůňková, 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