The effective fragment molecular orbital method for fragments connected by covalent bonds.
about
FragIt: a tool to prepare input files for fragment based quantum chemical calculationsAccurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution.Mapping enzymatic catalysis using the effective fragment molecular orbital method: towards all ab initio biochemistry.Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method.Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding.
P2860
The effective fragment molecular orbital method for fragments connected by covalent bonds.
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2012 nî lūn-bûn
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2012 թուականի Յուլիսին հրատարակուած գիտական յօդուած
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2012 թվականի հուլիսին հրատարակված գիտական հոդված
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2012年の論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年论文
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The effective fragment molecul ...... s connected by covalent bonds.
@ast
The effective fragment molecul ...... s connected by covalent bonds.
@en
The effective fragment molecul ...... s connected by covalent bonds.
@nl
type
label
The effective fragment molecul ...... s connected by covalent bonds.
@ast
The effective fragment molecul ...... s connected by covalent bonds.
@en
The effective fragment molecul ...... s connected by covalent bonds.
@nl
prefLabel
The effective fragment molecul ...... s connected by covalent bonds.
@ast
The effective fragment molecul ...... s connected by covalent bonds.
@en
The effective fragment molecul ...... s connected by covalent bonds.
@nl
P2860
P1433
P1476
The effective fragment molecular orbital method for fragments connected by covalent bonds
@en
P2093
Casper Steinmann
Dmitri G Fedorov
P2860
P304
P356
10.1371/JOURNAL.PONE.0041117
P407
P577
2012-07-23T00:00:00Z