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6 results in Keywords: Quantum crystallography

Fast and Accurate Quantum Crystallography: from Small to Large, from Light to Heavy

Lorraine Malaspina, Erna K. Wieduwilt, Justin Bergmann, Florian Kleemiss, Benjamin Meyer, Manuel F. Ruiz-López, Rumpa Pal, Emanuel Hupf, Jens Beckmann, Ross O. Piltz, Alison J. Edwards, Simon Grabowsky, Alessandro Genoni

Version 2 posted 30 July 2019

696

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Physical Chemistry

Working Paper

Resolving salt-cocrystal conundrum in multicomponent crystals by using X-ray quantum crystallography

Athul Sudheendranath, Srinu Tothadi, Amit Kumar Pradhan, Aditya Kumar Prajapati, Ashwini Nangia, Sajesh P. Thomas

Version 1 posted 03 September 2024

147

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Physical Chemistry

Working Paper

Real-Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields

Sergey A. Shteingolts, Adam I. Stash, Vladimir G. Tsirelson, Robert R. Fayzullin

Version 1 posted 17 January 2022

198

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Physical Chemistry

Working Paper

Protonated nucleobases are not fully ionized and may form stable base pairs in the crystalline state

Prashant Kumar, Małgorzata Katarzyna Cabaj, Aleksandra Pazio, Paulina Maria Dominiak

Version 1 posted 12 December 2017

490

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Physical Chemistry

Working Paper

Refinement of Organic Crystal Structure with Multipolar Electron Scattering Factors

Barbara Gruza, Michał Leszek Chodkiewicz, Joanna M. Krzeszczakowska, Paulina Dominiak

Version 1 posted 26 June 2019

616

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Physical Chemistry

Working Paper

New refinement strategies for pseudoatom databank - towards wider range of application

Sławomir Antonii Bojarowski, Barbara Gruza, Damian Trzybiński, Radosław Kamiński, Anna Agnieszka Hoser, Prashant Kumar, Krzysztof Woźniak, Paulina Maria Dominiak

Version 1 posted 28 January 2022

160

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6 results in Quantum crystallography in Keywords: Quantum crystallography

Fast and Accurate Quantum Crystallography: from Small to Large, from Light to Heavy

Resolving salt-cocrystal conundrum in multicomponent crystals by using X-ray quantum crystallography

Real-Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields

Protonated nucleobases are not fully ionized and may form stable base pairs in the crystalline state

Refinement of Organic Crystal Structure with Multipolar Electron Scattering Factors

New refinement strategies for pseudoatom databank - towards wider range of application

6 results in Keywords: Quantum crystallography