Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates.
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Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions.On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum."Divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems.Two-component, ab initio potential energy surface for CO2-H2O, extension to the hydrate clathrate, CO2@(H2O)20, and VSCF/VCI vibrational analyses of both.A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral.
P2860
Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates.
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name
Full-dimensional, high-level a ...... o hydrogen clathrate hydrates.
@en
Full-dimensional, high-level a ...... o hydrogen clathrate hydrates.
@nl
type
label
Full-dimensional, high-level a ...... o hydrogen clathrate hydrates.
@en
Full-dimensional, high-level a ...... o hydrogen clathrate hydrates.
@nl
prefLabel
Full-dimensional, high-level a ...... o hydrogen clathrate hydrates.
@en
Full-dimensional, high-level a ...... o hydrogen clathrate hydrates.
@nl
P2093
P2860
P356
P1476
Full-dimensional, high-level a ...... o hydrogen clathrate hydrates.
@en
P2093
Joel M Bowman
Zahra Homayoon
P2860
P304
P356
10.1063/1.4929338
P407
P577
2015-08-01T00:00:00Z