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Acta Crystallographica. Section A, Foundations of Crystallography|February 16, 2007
Are intramolecular dynamic electron correlation effects detectable in X-ray diffraction experiments on molecular crystals?Ian Bytheway, Graham Chandler, Brian Figgis, et al.
Iucrj|January 23, 2018
Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2Malte Fugel, Dylan Jayatilaka, Emanuel Hupf, et al.
Journal of Applied Crystallography|June 30, 2021
lamaGOET: an interface for quantum crystallographyLorraine A Malaspina, Alessandro Genoni, Simon Grabowsky
Chemical Science|September 8, 2017
Quantum crystallographySimon Grabowsky, Alessandro Genoni, Hans-Beat Bürgi
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
S···O chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamideSajesh P Thomas, Dylan Jayatilaka, T N Guru Row
Journal of Cheminformatics|November 8, 2023
Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graphSean Li, Björn Bohman, Gavin R Flematti, et al.
The Journal of Organic Chemistry|April 9, 2021
Synthesis, X-ray Structure Determination, and Comprehensive Photochemical Characterization of (Trifluoromethyl)diazirine-Containing TRPML1 LigandsKevin Schwickert, Michał Andrzejewski, Simon Grabowsky, et al.
The Journal of Physical Chemistry. A|May 11, 2021
On the Role of Hydrogen Bonding in Gas-Phase SN2 Reactions at SiliconMalte Fugel, Anneke Dittmer, Florian Kleemiss, et al.
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