Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
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0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life CompoundsLow-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State Methods.Unusual response to environmental polarity in a nonlinear-optical benzylidene-type chromophore containing a 1,3-bis(dicyanomethylidene)indane acceptor fragment.The Bethe-Salpeter equation in chemistry: relations with TD-DFT, applications and challenges.The screened pseudo-charge repulsive potential in perturbed orbitals for band calculations by DFT+U.
P2860
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
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2014 nî lūn-bûn
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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
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name
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
@ast
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
@en
type
label
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
@ast
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
@en
prefLabel
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
@ast
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.
@en
P2860
P50
P356
P1476
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds
@en
P2093
Antonio Prlj
Leonard Floryan
P2860
P356
10.1021/JZ5022087
P577
2014-12-09T00:00:00Z