forcite module (Accelrys)
86
Structured Review
Accelrys
forcite module
Forcite Module, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/forcite+module/forcite+module/10__3390_slash_membranes16060195-145-1-4
Average 86 stars, based on 1 article reviews
Forcite Module, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/forcite+module/forcite+module/10__3390_slash_membranes16060195-145-1-4
Average 86 stars, based on 1 article reviews
forcite module - by Bioz Stars,
2026-10
86/100 stars
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other:Article Title: Adsorption of dibenzothiophene on N-doped TiO₂ system: a DFT and molecular dynamics study. Article Snippet: Context This study examines the adsorption behavior of dibenzothiophene (DBT) on nitrogen-doped titanium dioxide (N-doped TiO2) to evaluate its potential in photocatalytic desulfurization.. The work focuses on structural stability, charge transfer, electronic properties, and dynamic interactions of the hybrid system.. The findings show that nitrogen doping reduces the TiO2 band gap, enhances charge redistribution, and improves adsorption affinity. Article Title: In Situ Synthesis of Covalent Organic Frameworks Inside Cells for Triggering Ferroptosis and Immunotherapy Article Snippet: The crystal structure determined through PXRD in conjunction with computational simulations using the Article Title: Spirocyclic groups to induce significant enhancement of high-temperature energy storage performance in polyimide Article Snippet: With the development of modern power electronic systems, there is an urgent demand for polymer dielectric materials that can operate efficiently for a long time under high temperature and high electric field.. In this study, a polyimide (PI)-derivative containing spirocyclic groups was designed.. The spirocyclic groups possess a rigid three-dimensional structure, which can effectively destroy the conjugated plane of PI polymer to block intramolecular charge transfer. Article Title: Synergistic effects of composite organic additives on the magnesium-ion battery performance. Article Snippet: • Novel MFPE (with o-fluoroaniline/ triethyl phosphate) modified the Mg2+ solvation structure.. • Combined additives significantly reduced the desolvation energy barrier.. • Synergistic coordination/optimised Mg2+ solvation reduces overpotential, suppresses side reactions. Article Title: Electrically Insulating Rigid Multi-Channel Electrolyte Container for Customizable Electron Transfer in Zn-Halogen Batteries Article Snippet: Molecular dynamics (MD) simulations were conducted using the Forcite module in Article Title: Ambient one-step synthesis and direct coating of highly crystalline covalent organic frameworks on arbitrary surfaces Article Snippet: Hydrogen atoms were added using the Materials Studio Visualizer and subsequently optimized with the Software:Article Title: Fluorescence Quenching Driven by PES-Guided Self-Assembly of Ethoxy-Dibenzalacetone and Fullerene-Based Quenchers: A Theoretical and Experimental Study Article Snippet: .. The potential energy surface (PES) scanning for the C60@DBAd and PC61BM@DBAd supramolecular complexes was carried out using the Forcite module of the |