Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo.
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Computational phase diagrams of noble gas hydrates under pressure.Toward Accurate Adsorption Energetics on Clay Surfaces.The nature of three-body interactions in DFT: Exchange and polarization effects.Systematic study of finite-size effects in quantum Monte Carlo calculations of real metallic systems.Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates.Polarization response of clathrate hydrates capsulated with guest molecules.
P2860
Q34499112-BEEAD081-B1D6-4FCA-9685-8B2A3514C92CQ37449446-4836B879-F6D7-4E59-8B9F-D3D35D351FFAQ47323539-C6DCC9F2-D125-47F2-A74E-260844A88632Q47362090-D06424F4-10FF-4E9A-9714-72531A70651FQ47948204-14A6A089-BAAA-4D62-BBFD-A0F4467344B1Q51123112-DA0D34E7-4AC2-479D-83EF-00DEA8709422Q51308580-EB5788A8-E6F1-4C8E-BAE9-5EB1A321DFA2
P2860
Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo.
description
2014 nî lūn-bûn
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2014年の論文
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2014年学术文章
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name
Benchmarking the performance o ...... against diffusion Monte Carlo.
@en
Benchmarking the performance o ...... against diffusion Monte Carlo.
@nl
type
label
Benchmarking the performance o ...... against diffusion Monte Carlo.
@en
Benchmarking the performance o ...... against diffusion Monte Carlo.
@nl
prefLabel
Benchmarking the performance o ...... against diffusion Monte Carlo.
@en
Benchmarking the performance o ...... against diffusion Monte Carlo.
@nl
P2860
P356
P1476
Benchmarking the performance o ...... against diffusion Monte Carlo
@en
P2093
Michael D Towler
Stephen J Cox
P2860
P304
P356
10.1063/1.4871873
P407
P577
2014-05-01T00:00:00Z