Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources
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Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids.Good Computational Practice in the Assignment of Absolute Configurations by TDDFT Calculations of ECD Spectra.Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory.On the hydrogen activation by frustrated Lewis pairs in the solid state: benchmark studies and theoretical insights.Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.
P2860
Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources
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2016 nî lūn-bûn
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2016 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2016 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
name
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@ast
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@en
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@nl
type
label
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@ast
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@en
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@nl
prefLabel
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@ast
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@en
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@nl
P2093
P2860
P356
P1433
P1476
Small Atomic Orbital Basis Set ...... ical Analysis of Error Sources
@en
P2093
Jan Gerit Brandenburg
Rebecca Sure
Stefan Grimme
P2860
P304
P356
10.1002/OPEN.201500192
P407
P577
2016-04-01T00:00:00Z