CrystalShift: A Versatile Command-Line Tool for Crystallographic Structural Data Analysis, Modification, and Format Conversion Prior to Solid-State DFT Calculations of Organic Crystals › Research Explorer

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CrystalShift: A Versatile Command-Line Tool for Crystallographic Structural Data Analysis, Modification, and Format Conversion Prior to Solid-State DFT Calculations of Organic Crystals

Research output: Contribution to journal › Article › peer-review

Department of Natural Sciences

DOI

https://doi.org/10.3390/computation13060138
Final published version

Илона Александровна Исупова
Денис Александрович Рычков

Original language	English
Article number	138
Journal	Computation
Volume	13
Issue number	6
DOIs	https://doi.org/10.3390/computation13060138
Publication status	Published - 4 Jun 2025

OECD FOS+WOS

1.01.PO MATHEMATICS, INTERDISCIPLINARY APPLICATIONS

Research areas

crystal structure converter, crystallographic basis change, coordinates editor, molecular layers, organic crystals, molecular crystals, bending crystals, plastic crystals

ID: 68259895