Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical Hierarchy.
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Ab initio path-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models.A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interfaceBreaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost.The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations.Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.
P2860
Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical Hierarchy.
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2013 nî lūn-bûn
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2013年の論文
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2013年論文
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2013年論文
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2013年論文
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2013年論文
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2013年論文
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2013年论文
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2013年论文
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2013年论文
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name
Extrapolation to the Gold-Stan ...... ated Thermochemical Hierarchy.
@en
type
label
Extrapolation to the Gold-Stan ...... ated Thermochemical Hierarchy.
@en
prefLabel
Extrapolation to the Gold-Stan ...... ated Thermochemical Hierarchy.
@en
P356
P1476
Extrapolation to the Gold-Stan ...... ated Thermochemical Hierarchy.
@en
P2093
Krishnan Raghavachari
Raghunath O Ramabhadran
P304
P356
10.1021/CT400465Q
P577
2013-08-28T00:00:00Z