Binding energies from diffusion Monte Carlo for the MB-pol H2O and D2O dimer: A comparison to experimental values.

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Binding energies from diffusion Monte Carlo for the MB-pol H2O and D2O dimer: A comparison to experimental values.

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Binding energies from diffusio ...... arison to experimental values.

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Binding energies from diffusio ...... arison to experimental values.

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Binding energies from diffusio ...... arison to experimental values.

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P1476

Binding energies from diffusio ...... parison to experimental values

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P2093

Vladimir A Mandelshtam

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P2860

Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer

Quantum chemistry by random walk. H 2P, H+3 D3h 1A′1, H2 3Σ+u, H4 1Σ+g, Be 1S

Infrared and Raman Spectroscopy of Liquid Water through “First-Principles” Many-Body Molecular Dynamics

Competing quantum effects in the dynamics of a flexible water model.

Simulating water with rigid non-polarizable models: a general perspective.

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

A Critical Assessment of Two-Body and Three-Body Interactions in Water.

Development of a "First-Principles" Water Potential with Flexible Monomers. III. Liquid Phase Properties.

Development of a "First Principles" Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters.

The water hexamer: cage, prism, or both. Full dimensional quantum simulations say both.

P304

144303

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P31

scholarly article

P356

10.1063/1.4932596

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P407

English

P433

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P478

143

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P50

Joel D Mallory

P577

2015-10-01T00:00:00Z

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P698

26472375

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P818

1509.07467

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