Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
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Revisiting the formation of cyclic clusters in liquid ethanol.Hydrogen bonding in the protic ionic liquid triethylammonium nitrate explored by density functional tight binding simulations.Ionic Liquid Induced Band Shift of Titanium Dioxide.Can dispersion corrections annihilate the dispersion-driven nano-aggregation of non-polar groups? An ab initio molecular dynamics study of ionic liquid systems.Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
P2860
Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
description
2014 nî lūn-bûn
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2014年の論文
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2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
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2014年论文
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name
Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
@en
type
label
Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
@en
prefLabel
Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
@en
P2860
P356
P1476
Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
@en
P2093
Martin Thomas
P2860
P304
P356
10.1039/C4CP05272B
P407
P577
2014-12-18T00:00:00Z