quickstep module (Molecular Dynamics Inc)
86
Structured Review
Molecular Dynamics Inc
quickstep module
Quickstep Module, supplied by Molecular Dynamics Inc, 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/molecular+dynamics+module/module+quickstep/pm39989091-208-7-2
Average 86 stars, based on 1 article reviews
Quickstep Module, supplied by Molecular Dynamics Inc, 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/molecular+dynamics+module/module+quickstep/pm39989091-208-7-2
Average 86 stars, based on 1 article reviews
quickstep module - by Bioz Stars,
2026-09
86/100 stars
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other:Article Title: Computational and Experimental Elucidation of the Charge-Dependent Acid-Etching Dynamics and Electrocatalytic Performance of Au 25 (SR) 18 q (q = -1, 0, +1) Nanoclusters. Article Snippet: Using thiolate-protected Au25(SR)18 nanocluster (NC) with different charge states as the test candidate, how the charge effect affects the etching dynamics of thiolate ligands in acid and the electrocatalytic performance is explored.. The ab initio molecular dynamics (AIMD) simulations revealed the charge-dependent reaction kinetics in acid, where the anionic and neutral Au25(SCH3)18 q (q = −1, 0) favorably react with the acid and partially remove the thiolate ligands via two-step proton attack, while the cationic Au25(SCH3)18 + NC is acid-resistant with no tendency for -SR removal.. Density functional theory (DFT) calculations further predict that the dethiolated Au sites exhibit enhanced catalytic activity for CO2 electroreduction to CO, with the anionic Au25 − showing significantly superior activity. |