Search Results - "Oh, Dakyeung"

Theoretical study on molecular properties of SbXn (X = F and Cl, n = 1–5) and SbXn− (X = F and Cl, n = 1–6) including spin–orbit coupling by Oh, Dakyeung, Lee, Seongjae, Kim, Joonghan

“…High‐level ab initio and density functional theory (DFT) calculations were performed to calculate the molecular properties of SbXn (X = F and Cl, n = 1–5) and…”
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Organic–Inorganic Hybrid Device with a Novel Deep-Blue Emitter of a Donor–Acceptor Type, with ZnO Nanoparticles for Solution-Processed OLEDs by Kang, Seokwoo, Jillella, Raveendra, Park, Sunwoo, Park, Sangshin, Kim, Joo Hwan, Oh, Dakyeung, Kim, Joonghan, Park, Jongwook

“…Two new deep-blue emitters with bipolar properties based on an organoboron acceptor and carbazole donor were newly synthesized:…”
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Theoretical study on molecular properties of SbX n (X = F and Cl, n  = 1–5) and SbX n − (X = F and Cl, n  = 1–6) including spin–orbit coupling by Oh, Dakyeung, Lee, Seongjae, Kim, Joonghan

“…Abstract High‐level ab initio and density functional theory (DFT) calculations were performed to calculate the molecular properties of SbX n (X = F and Cl, n…”
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Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H2C3O+⋅ Radical Cation by Kim, Joonghan, Oh, Dakyeung, Park, Eunji, Park, Jeongmin, Kim, Jungyoon, Lim, Jeong Sik

“…The photochemical reaction mechanism underlying the intramolecular H‐transfer of the H2C3O+⋅ radical cation to the H2CCCO+⋅ methylene ketene cation was…”
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Do Planar Tetracoordinate Fluorine Atoms Exist? Revisiting a Theoretical Prediction by Kim, Joonghan, Park, Eunji, Park, Jeongmin, Kim, Jungyoon, Seo, Wonil, Oh, Dakyeung, Lee, Junho, Kim, Tae Kyu

“…We re-examined the existence of planar tetracoordinate F (ptF) atoms, which was proposed recently by using high-level ab initio methods such as coupled-cluster…”
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Cover Feature: Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H2C3O+⋅ Radical Cation (ChemPhysChem 13/2023) by Kim, Joonghan, Oh, Dakyeung, Park, Eunji, Park, Jeongmin, Kim, Jungyoon, Lim, Jeong Sik

“…The Cover Feature shows that the H2C3O+• radical cation undergoes isomerization to H2CCCO+• via a conical intersection. The gradient difference vector…”
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Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H 2 C 3 O + ⋅ Radical Cation by Kim, Joonghan, Oh, Dakyeung, Park, Eunji, Park, Jeongmin, Kim, Jungyoon, Lim, Jeong Sik

“…The photochemical reaction mechanism underlying the intramolecular H-transfer of the H C O ⋅ radical cation to the H CCCO ⋅ methylene ketene cation was…”
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Cover Feature: Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H 2 C 3 O + ⋅ Radical Cation (ChemPhysChem 13/2023) by Kim, Joonghan, Oh, Dakyeung, Park, Eunji, Park, Jeongmin, Kim, Jungyoon, Lim, Jeong Sik

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Efficient ternary organic solar cells with BT-rhodanine-based nonfullerene acceptors in a PM6:Y6-BO blend by Park, Suhyun, Song, Chang Eun, Ryu, Du Hyeon, Oh, Dakyeung, Kim, Joonghan, Kang, In-Nam

“…A series of benzothiadiazole (BT)–rhodanine-based nonfullerene acceptors (NFAs) were designed and synthesized. These BT–rhodanine-based NFAs were composed of…”
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Quantum chemical study of molecular properties of AsXn (X = F and Cl, n = 1–5) and AsXn− (X = F and Cl, n = 1–6) by Kim, Joonghan, Oh, Dakyeung, Shin, Hyuna, Yang, Jiyeon, Jun, Hyeji

“…[Display omitted] •Molecular properties of arsenic fluorides and chlorides were calculated using CCSD(T).•The results of CCSD(T) with large basis sets are in…”
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Multireference configuration interaction and coupled cluster study of Gold monosulfide (AuS) including spin-orbit coupling by Kim, Joonghan, Yoon, Kihwan, Shin, Hyuna, Oh, Dakyeung, Lim, Jeong Sik

“…A multireference configuration interaction with the Davidson correction (MRCI + Q) method, including spin-orbit coupling (SOC), was used to calculate the full…”
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Effect of extending fluorinated thiophene π-bridges of BDT- and TT-based polymers for nonfullerene organic solar cells by Noh, Jiwoong, Song, Chang Eun, Ryu, Du Hyeon, Oh, Dakyeung, Kim, Joonghan, Shin, Won Suk, Kang, In-Nam

“…A series of novel benzo[1,2-b:4,5-b]dithiophene (BDT) and thieno[3,4-b]thiophene (TT)-based medium-bandgap polymers (PBDTTT-2F and PBDTTT-3F) were synthesized…”
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Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H2 C3 O+ ⋅ Radical Cation by Kim, Joonghan, Oh, Dakyeung, Park, Eunji, Park, Jeongmin, Kim, Jungyoon, Lim, Jeong Sik

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