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 19 setembro 2024
Development of a “First Principles” Water Potential with Flexible
Molecules, Free Full-Text
Quantum Chemical Investigation of the Cold Water Dimer Spectrum
Signature properties of water: Their molecular electronic origins
Accurate determination of solvation free energies of neutral
Molecules, Free Full-Text
Code interoperability extends the scope of quantum simulations
Ammonia dimer: extremely fluxional but still hydrogen bonded
Extending density functional theory with near chemical accuracy
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