Singlet-triplet energy gaps for diradicals from particle-particle random phase approximation.
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Theory and practice of uncommon molecular electronic configurationsCharge transfer excitations from particle-particle random phase approximation-Opportunities and challenges arising from two-electron deficient systems.Nature of ground and electronic excited states of higher acenes.Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference Analysis.Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials.Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation.Systematic treatment of spin-reactivity indicators in conceptual density functional theory
P2860
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P2860
Singlet-triplet energy gaps for diradicals from particle-particle random phase approximation.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Singlet-triplet energy gaps fo ...... le random phase approximation.
@ast
Singlet-triplet energy gaps fo ...... le random phase approximation.
@en
type
label
Singlet-triplet energy gaps fo ...... le random phase approximation.
@ast
Singlet-triplet energy gaps fo ...... le random phase approximation.
@en
prefLabel
Singlet-triplet energy gaps fo ...... le random phase approximation.
@ast
Singlet-triplet energy gaps fo ...... le random phase approximation.
@en
P2093
P356
P1476
Singlet-triplet energy gaps fo ...... le random phase approximation.
@en
P2093
Degao Peng
Ernest R Davidson
Weitao Yang
P304
P356
10.1021/JP512727A
P407
P577
2015-04-30T00:00:00Z