New accurate benchmark energies for large water clusters: DFT is better than expected.
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Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error SourcesBenchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.Benchmarking DFT and semiempirical methods on structures and lattice energies for ten ice polymorphs.Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes.Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory.A general intermolecular force field based on tight-binding quantum chemical calculations.Basis set limit coupled-cluster studies of hydrogen-bonded systems
P2860
Q26745713-BC043066-5EDB-43B1-9877-B5582D6AD01CQ38815170-AAC8FC2F-13BC-403F-B16B-22EE9A1D3CD2Q38893545-87705506-EE1C-4F27-96F8-20392155B4C5Q41125926-049786E8-F663-4535-8112-B60CFBF754F6Q46699500-803D5B03-ACD2-4550-BBF8-FF7BC8983454Q48045018-5418C2FD-0C99-4734-87F8-C2B6D7AD70EAQ48047860-C17D933D-EE40-4B5D-9D53-3FC6CEC4C343Q48049967-E79A4B5D-664D-4768-A27D-1939646F8B73Q57566074-19798636-377B-4F16-85B4-B25BF7806AF2
P2860
New accurate benchmark energies for large water clusters: DFT is better than expected.
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2014 nî lūn-bûn
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New accurate benchmark energies for large water clusters: DFT is better than expected.
@en
New accurate benchmark energies for large water clusters: DFT is better than expected.
@nl
type
label
New accurate benchmark energies for large water clusters: DFT is better than expected.
@en
New accurate benchmark energies for large water clusters: DFT is better than expected.
@nl
prefLabel
New accurate benchmark energies for large water clusters: DFT is better than expected.
@en
New accurate benchmark energies for large water clusters: DFT is better than expected.
@nl
P2860
P356
P1476
New accurate benchmark energies for large water clusters: DFT is better than expected.
@en
P2093
Joachim Friedrich
Tony Anacker
P2860
P304
P356
10.1002/JCC.23539
P577
2014-01-30T00:00:00Z