Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
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Automatic Generation of Flexible-Monomer Intermolecular Potential
Uptake of N2O5 by aqueous aerosol unveiled using chemically
Extending density functional theory with near chemical accuracy
Path integral molecular dynamics at zero thermal temperature
The Paesani Research Group - Publications
Development of a “First-Principles” Water Potential with Flexible
Molecules, Free Full-Text
Code interoperability extends the scope of quantum simulations
Table 2 from Toward Chemical Accuracy in the Description of Ion
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