Ab initio molecular-dynamics study of supercritical carbon dioxide.
about
Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics.Raman spectrum of supercritical C(18)O2 and re-evaluation of the Fermi resonance.Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: probing atomic structure in situ.Theoretical investigations of candidate crystal structures for β-carbonic acid.The structure of liquid carbon dioxide and carbon disulfide.Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment.Performance of density functionals for modeling vapor liquid equilibria of CO2 and SO2.A first principles approach to the electronic properties of liquid and supercritical CO2.Dynamic Entangled Porous Framework for Hydrocarbon (C2-C3) Storage, CO2 Capture, and Separation.
P2860
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P2860
Ab initio molecular-dynamics study of supercritical carbon dioxide.
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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2004年学术文章
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2004年学术文章
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2004年学术文章
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name
Ab initio molecular-dynamics study of supercritical carbon dioxide.
@en
Ab initio molecular-dynamics study of supercritical carbon dioxide.
@nl
type
label
Ab initio molecular-dynamics study of supercritical carbon dioxide.
@en
Ab initio molecular-dynamics study of supercritical carbon dioxide.
@nl
prefLabel
Ab initio molecular-dynamics study of supercritical carbon dioxide.
@en
Ab initio molecular-dynamics study of supercritical carbon dioxide.
@nl
P2860
P356
P1476
Ab initio molecular-dynamics study of supercritical carbon dioxide.
@en
P2093
Moumita Saharay
Sundaram Balasubramanian
P2860
P304
P356
10.1063/1.1701838
P407
P577
2004-05-01T00:00:00Z