Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Por um escritor misterioso
Last updated 16 junho 2024
Development of a “First Principles” Water Potential with Flexible
Full article: Chemical accuracy in modeling halide ion hydration
Development of a “First Principles” Water Potential with Flexible
Accurate determination of solvation free energies of neutral
Development of a “First Principles” Water Potential with Flexible
Torsional Tunneling Splitting in a Water Trimer
Accurate determination of solvation free energies of neutral
Extending density functional theory with near chemical accuracy
Electron affinity of liquid water
Quality of the SAPT-5s fit. Circles represent the 2510 points used
The water dimer II: Theoretical investigations - ScienceDirect
VRT energy levels of the ammonia dimer Calculated energy levels
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