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Molecular Dynamics Inc equilibriummd simulation
Equilibriummd Simulation, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/equilibriummd+simulation/equilibrium+md+simulations/pm21210669-14-3-35
Average 90 stars, based on 1 article reviews
equilibriummd simulation - by Bioz Stars, 2026-09
90/100 stars

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Article Title: Hydration structure in dilute hydrofluoric acid.
Article Snippet: For this purpose, equilibriumMD simulation is performed by developing the multistate empirical valence bond (MS-EVB) model.19,20 The nuclear quantum effect (NQE) is approximately included by fitting the effective potential of mean force from the centroid molecular dynamics (CMD) approach,21 in which the potential energy surface (PES) is quantized at a given temperature by a preliminary path-integral calculation.22-24 We present the parametrization of our model for the HF-H2O dimer and apply it to the equilibrium MD simulations.



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Molecular Dynamics Inc equilibriummd simulation
Equilibriummd Simulation, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/equilibriummd+simulation/equilibrium+md+simulations/pm21210669-14-3-35
Average 90 stars, based on 1 article reviews
equilibriummd simulation - by Bioz Stars, 2026-09
90/100 stars
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