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Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

open access: yesAdvanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll   +19 more
wiley   +1 more source

Machine Learning Accelerates Crystallization for Structure Determination. [PDF]

open access: yesAngew Chem Int Ed Engl
Luan CZ   +10 more
europepmc   +1 more source

Amorphous Solid Dispersions of Polyphenols: Current State of the Art (Part I). [PDF]

open access: yesPharmaceuticals (Basel)
Rosiak N   +4 more
europepmc   +1 more source

Protective Role of Oxides on Pb-Free Halide Perovskite Surfaces: Interfacial Effects and Excitonic Optical Properties from First-Principles. [PDF]

open access: yesACS Appl Mater Interfaces
Palummo M   +7 more
europepmc   +1 more source
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Inherent Structures of Crystalline Tetracene

The Journal of Physical Chemistry A, 2006
We have systematically sampled the potential energy surface of crystalline tetracene to identify its local minima. These minima represent all possible stable configurations and constitute the "inherent structures" of the system. The crystal is described in terms of rigid molecules with Coulombic and atom-atom interactions.
DELLA VALLE, RAFFAELE GUIDO   +3 more
openaire   +4 more sources

Crystalline Structure of Heparin

1975
Current trends in molecular biology argue convincingly in favor of a precise relation between biologic function and shape of macromolecules. This is especially relevant in the case of heparin; the evidence points to a specific inhibition by this highly charged polysaccharide of protein molecules involved in blood coagulation.
E D, Atkins, I A, Nieduszynski
openaire   +2 more sources

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