A posteriori metadata from automated provenance tracking: Integration of AiiDA and TCOD
, 2017 In order to make results of computational scientific research findable, accessible, interoperable and re-usable, it is necessary to decorate them with standardised metadata. However, there are a number of technical and practical challenges that make this
Cepellotti, Andrea +5 more
core +1 more source
Advanced Synthesis &Catalysis, EarlyView.A Ti(III) complex synthesized mechanochemically catalyzes the cycloaddition of CO2 (1 bar) with terminal, internal, and trisubstituted epoxides. Mechanistic studies by density functional theory calculations reveal that the superior activity of Ti(III) compared to Ti(IV) arises from its lower oxophilicity, facilitating CO2 insertion into Ti–O bonds, as ...
Elena Álvarez‐Ruiz +5 more
wiley +1 more source
Chaotic Crystallography: How the physics of information reveals structural order in materials
, 2014 We review recent progress in applying information- and computation-theoretic measures to describe material structure that transcends previous methods based on exact geometric symmetries.
Crutchfield, James P., Varn, Dowman P.
core
Advanced Sensor Research, EarlyView.This study deciphers the mechanism of enhanced glucose detection using multiwalled carbon nanotubes and nickel oxide stacks (MWCNTs/NiO/MWCNTs) on commercially available carbon paper electrodes. We demonstrate the role of MWCNTs where the defects enrich the electrocatalytic activity when they come in contact with the glucose molecule for its selective ...
Akshay Parab +6 more
wiley +1 more source
The powder method in X-ray crystallographyby L. V. Azaroff and J. Buerger [PDF]
, 1958 H. P. Rooksby
openalex +1 more source
Cytokine Engineering Approaches for Regenerative Medicine
Advanced Therapeutics, EarlyView.Engineered cytokines represent a powerful strategy to promote tissue repair and regeneration by precisely modulating immune responses. This review highlights recent advances in cytokine engineering, including strategies to enhance half‐life, improve tissue and cell targeting, and control receptor signaling.
Shiyi Li, Wenhao You, Mikaël M. Martino
wiley +1 more source
MicroED: Unveiling the Structural Chemistry of Plant Biomineralisation
MoleculesPlants are able to produce various types of crystals through metabolic processes, serving functions ranging from herbivore deterrence to photosynthetic efficiency.
Damian Trzybiński +8 more
doaj +1 more source
XXXIV.—Crystallography of the monhydrated mercurous nitrite [PDF]
, 1897 Terezia Holland
openalex +1 more source
Crystalline‐Amorphous Heterostructure: A Novel Configuration for Silver Nanoclusters
Advanced Science, EarlyView.This study presents a spontaneously formed amorphous‐crystalline heterostructure composite composed of atomically precise carboranylthiolate‐protected silver NCs, demonstrating not only a unique co‐assembly of distinct metal NCs at the macroscopic level but also promising potential applications of metal cluster‐based materials.
Jia‐Hong Huang +4 more
wiley +1 more source
The Characters of Crystals, an Introduction to Physical Crystallography . By Alfred J. Moses, E.m., Ph.D., Professor of Mineralogy, Columbia University, New York City. New York, D. Van Nostrand Company. 1899. Pp. 211. [PDF]
, 1899 A. S. Eakle
openalex +1 more source