The generalized energy-based fragmentation approach with an improved fragmentation scheme: benchmark results and illustrative applications.
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Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems.Are fragment-based quantum chemistry methods applicable to medium-sized water clusters?Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding.
P2860
The generalized energy-based fragmentation approach with an improved fragmentation scheme: benchmark results and illustrative applications.
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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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name
The generalized energy-based f ...... and illustrative applications.
@en
The generalized energy-based f ...... and illustrative applications.
@nl
type
label
The generalized energy-based f ...... and illustrative applications.
@en
The generalized energy-based f ...... and illustrative applications.
@nl
prefLabel
The generalized energy-based f ...... and illustrative applications.
@en
The generalized energy-based f ...... and illustrative applications.
@nl
P2860
P356
P1433
P1476
The generalized energy-based f ...... and illustrative applications.
@en
P2093
Shugui Hua
P2860
P304
P356
10.1002/CPHC.201200867
P577
2012-12-13T00:00:00Z