Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

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

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