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• W2316844554 startingPage "19729" @default.
• W2316844554 abstract "By applying the diradical character based molecular design guideline for singlet fission (SF), we investigate the feasibility of efficient SF in condensed-ring π-conjugated molecules with 4nπ electrons (n = 4, 5, ...), i.e., antiaromatic polycyclic hydrocarbons composed of five- and six-membered rings. The multiple diradical character (yi), which takes a value between 0 (closed shell) and 1 (pure open shell), is defined as the occupation number of the lowest unoccupied natural orbital (LUNO) + i (i = 0, 1, ...) calculated using the approximately spin-projected spin-unrestricted Hartree–Fock method. The excitation energies are also evaluated using the tuned long-range corrected time-dependent density functional theory method with the Tamm–Dancoff approximation to examine the energy level matching conditions for SF: (i) 2E(T1) – E(S1) ∼ 0 or ≤ 0 and (ii) 2E(T1) – E(T2) < 0, where S1, T1 and T2 represent singlet first, triplet first, and triplet second excited states, respectively. It turns out that the ener..." @default.
• W2316844554 created "2016-06-24" @default.
• W2316844554 creator A5002615932 @default.
• W2316844554 creator A5063251469 @default.
• W2316844554 creator A5080525797 @default.
• W2316844554 date "2012-09-07" @default.
• W2316844554 modified "2023-09-24" @default.
• W2316844554 title "Diradical Character Based Design for Singlet Fission of Condensed-Ring Systems with 4<i>n</i>π Electrons" @default.
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• W2316844554 cites W1966551387 @default.
• W2316844554 cites W1967032220 @default.
• W2316844554 cites W1967206353 @default.
• W2316844554 cites W1972486813 @default.
• W2316844554 cites W1972703538 @default.
• W2316844554 cites W1973336827 @default.
• W2316844554 cites W1978027692 @default.
• W2316844554 cites W1987387392 @default.
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• W2316844554 cites W1999972371 @default.
• W2316844554 cites W2003585641 @default.
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• W2316844554 cites W2005510763 @default.
• W2316844554 cites W2016688873 @default.
• W2316844554 cites W2021060799 @default.
• W2316844554 cites W2022950330 @default.
• W2316844554 cites W2024603118 @default.
• W2316844554 cites W2025898544 @default.
• W2316844554 cites W2036882300 @default.
• W2316844554 cites W2042641283 @default.
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• W2316844554 cites W2067664075 @default.
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• W2316844554 cites W2081013923 @default.
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• W2316844554 cites W2093850330 @default.
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• W2316844554 cites W2159177670 @default.
• W2316844554 cites W2171867126 @default.
• W2316844554 cites W2313285719 @default.
• W2316844554 cites W2314901331 @default.
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• W2316844554 doi "https://doi.org/10.1021/jp3072684" @default.
• W2316844554 hasPublicationYear "2012" @default.
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