Quasi-static deformation simulations of molecular crystals

Quasi-static deformation simulations of molecular crystals

Identification of the mechanical performance of pharmaceuticals in the drug discovery process can determine the tabletability of a target molecule. Determination of the active slip systems and their ranking in molecular crystals is challenging because molecules offer a set of configurational variabl...

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Bibliographic Details
Main Authors: Hamad, Mustafa S., Boissier, C., Calo, Victor, Gale, Julian, Nilsson Lill, S.O., Parkinson, Gordon M., Rohl, Andrew
Format: Journal Article
Language:English
Published: ROYAL SOC CHEMISTRY 2023
Subjects:
Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Crystallography
Chemistry
METASTABLE ANTHRACENE
PLASTIC-DEFORMATION
ATTACHMENT ENERGY
SLIP SYSTEMS
BASAL SLIP
VISUALIZATION
PHASE
SHEAR
IDENTIFICATION
TRANSITION
Online Access:http://purl.org/au-research/grants/arc/FL180100087
http://hdl.handle.net/20.500.11937/90751

Internet

http://purl.org/au-research/grants/arc/FL180100087
http://hdl.handle.net/20.500.11937/90751

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