Results 181 to 190 of about 1,636,090 (346)

Simulation of Mine Conveyor Network [PDF]

open access: yes, 2014
Isakova, M.L.   +2 more
core  

Role of Histidine‐Containing Peptoids in Accelerating the Kinetics of Calcite Growth

open access: yesAdvanced Functional Materials, EarlyView.
Amphiphilic histidine‐containing peptoids mimic carbonic anhydrase (CA) to accelerate calcite step growth. In the presence of Zn2+, they promote the deprotonation of HCO3−, the desolvation of Ca2+, and the reorganization of interfacial hydration layers, thereby reducing the activation barrier for calcite growth.
Mingyi Zhang   +5 more
wiley   +1 more source

Lithium Intercalation in the Anisotropic Van Der Waals Semiconductor CrSBr

open access: yesAdvanced Functional Materials, EarlyView.
We report the lithium intercalation in the layered van der Waals crystal CrSBr, revealing strongly anisotropic ion‐migration dynamics. Optical and electrical characterization of exfoliated CrSBr shows lithium diffusion coefficients that differ by more than an order of magnitude along a‐ and b‐directions, consistent with molecular dynamics simulations ...
Kseniia Mosina   +13 more
wiley   +1 more source

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi   +2 more
wiley   +1 more source

VIOLA-A Multi-Purpose and Web-Based Visualization Tool for Neuronal-Network Simulation Output. [PDF]

open access: yesFront Neuroinform, 2018
Senk J   +5 more
europepmc   +1 more source

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