Pages that link to "Item:Q2955612"
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The following pages link to Aqueous solutions: state of the art in <i>ab initio</i> molecular dynamics (Q2955612):
Displaying 4 items.
- Hydration effects on the reaction with an open-shell transition state: QM/MM-ER study for the dehydration reaction of alcohol in hot water (Q1037462) (← links)
- Ab Initio Molecular Dynamics Simulations of Aqueous Glycine Solutions: Solvation Structure and Vibrational Spectra (Q3063799) (← links)
- Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised (Q4643555) (← links)
- Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers (Q6041593) (← links)