Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation.
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Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory.Quantum chemical MP2 results on some hydrates of cytosine: binding sites, energies and the first hydration shell.Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.
P2860
Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation.
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2014 nî lūn-bûn
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2014 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի փետրվարին հրատարակված գիտական հոդված
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2014年の論文
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2014年論文
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2014年論文
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2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
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name
Accurate determination of the ...... rtance of geometry relaxation.
@ast
Accurate determination of the ...... rtance of geometry relaxation.
@en
type
label
Accurate determination of the ...... rtance of geometry relaxation.
@ast
Accurate determination of the ...... rtance of geometry relaxation.
@en
prefLabel
Accurate determination of the ...... rtance of geometry relaxation.
@ast
Accurate determination of the ...... rtance of geometry relaxation.
@en
P2093
P2860
P356
P1476
Accurate determination of the ...... rtance of geometry relaxation.
@en
P2093
Dieter Cremer
Elfi Kraka
Robert Kalescky
P2860
P304
P356
10.1063/1.4866696
P407
P577
2014-02-01T00:00:00Z