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Showing 1 to 3 of 3 for “"AVUS-HR"”.
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Atom-Based Computer Simulation Studies of Gas-to-Liquid Nucleation in Atmospherically Relevant Systems: Clarifying Discrepancies and Elucidating Mechanisms
… simplistically to be a process that advances through the formation of critical clusters with a well-defined composition. Our results show intriguing nucleation mechanisms that challenge the aforementioned notion. We employed the simple TraPPE-UA (transferable potential for phase equilibria – …
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A Multifaceted Phenomenon of Hydrophobic Effects: Insights Learned from Nucleation Algorithm Based Computer Simulation Approach
… applied our new approach, a combination of the AVUS-HR nucleation algorithm and a thermodynamic cycle, to the studies of hydrophobicity-related researches. Due to the multifaceted characteristics of hydrophobicity, it is essential to acquire knowledge in various environments where hydrophobic …
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Computer Simulation of Ion-Induced Nucleation in the Presence of Single Ions and Ion Pairs
… formation, we have performed a series of AVUS-HR simulations of the water nucleation in the presence of both single ions and ion pairs. These simulations have shown that the location of the Gibbs free energy minimum on the free energy profile is a key factor controlling the barrier heights …