Accurate integration over atomic regions bounded by zero-flux surfaces.
about
Reliability of interacting quantum atoms (IQA) data computed from post-HF densities: impact of the approximation used.Hydrogen bond cooperativity and anticooperativity within the water hexamer.Forced bonding and QTAIM deficiencies: a case study of the nature of interactions in He@adamantane and the origin of the high metastability.A fully analytical integration of properties over the 3D volume of the β sphere in topological atoms.Ad hoc methods for accurate determination of Bader's atomic boundary.
P2860
Accurate integration over atomic regions bounded by zero-flux surfaces.
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2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年學術文章
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Accurate integration over atomic regions bounded by zero-flux surfaces.
@en
Accurate integration over atomic regions bounded by zero-flux surfaces.
@nl
type
label
Accurate integration over atomic regions bounded by zero-flux surfaces.
@en
Accurate integration over atomic regions bounded by zero-flux surfaces.
@nl
prefLabel
Accurate integration over atomic regions bounded by zero-flux surfaces.
@en
Accurate integration over atomic regions bounded by zero-flux surfaces.
@nl
P2860
P356
P1476
Accurate integration over atomic regions bounded by zero-flux surfaces.
@en
P2093
Pavel M Polestshuk
P2860
P304
P356
10.1002/JCC.23121
P577
2012-09-28T00:00:00Z