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 22 março 2025
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
Table 2 from Toward Chemical Accuracy in the Description of Ion
Development of a “First Principles” Water Potential with Flexible Monomers:  Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Thermodynamics of Water and Ice from a Fast and Scalable First
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
Torsional Tunneling Splitting in a Water Trimer
Development of a “First Principles” Water Potential with Flexible Monomers:  Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
The local structure of water from combining diffraction and X-ray
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
Table 2 from Toward Chemical Accuracy in the Description of Ion
Development of a “First Principles” Water Potential with Flexible Monomers:  Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
VRT energy levels of the ammonia dimer Calculated energy levels
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
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
Elevating density functional theory to chemical accuracy for water
Development of a “First Principles” Water Potential with Flexible Monomers:  Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Structure and thermodynamics of water adsorption in NU-1500-Cr

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