Search Results - "Kim, Joonghan"

Filming ultrafast roaming-mediated isomerization of bismuth triiodide in solution by Choi, Eun Hyuk, Kim, Jong Goo, Kim, Jungmin, Ki, Hosung, Lee, Yunbeom, Lee, Seonggon, Yoon, Kihwan, Kim, Joonghan, Kim, Jeongho, Ihee, Hyotcherl

“…Roaming reaction, defined as a reaction yielding products via reorientational motion in the long-range region (3 – 8 Å) of the potential, is a relatively…”
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Volume-conserving trans–cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography by Jung, Yang Ouk, Lee, Jae Hyuk, Kim, Joonghan, Schmidt, Marius, Moffat, Keith, Šrajer, Vukica, Ihee, Hyotcherl

“…Trans -to- cis isomerization, the key reaction in photoactive proteins, usually cannot occur through the standard one-bond-flip mechanism. Owing to spatial…”
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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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Electronic and Structural Dynamics of Dicyanoaurate Trimer in Excited State by Sohn, So Hyeong, Heo, Wooseok, Lee, Changmin, Kim, Joonghan, Joo, Taiha

“…A trimer of dicyanoaurate has been studied as a model system of the covalent chemical bond formation. Here, we report the dynamics of dicyanoaurate trimer in…”
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Mapping the emergence of molecular vibrations mediating bond formation by Kim, Jong Goo, Nozawa, Shunsuke, Kim, Hanui, Choi, Eun Hyuk, Sato, Tokushi, Kim, Tae Wu, Kim, Kyung Hwan, Ki, Hosung, Kim, Jungmin, Choi, Minseo, Lee, Yunbeom, Heo, Jun, Oang, Key Young, Ichiyanagi, Kouhei, Fukaya, Ryo, Lee, Jae Hyuk, Park, Jaeku, Eom, Intae, Chun, Sae Hwan, Kim, Sunam, Kim, Minseok, Katayama, Tetsuo, Togashi, Tadashi, Owada, Sigeki, Yabashi, Makina, Lee, Sang Jin, Lee, Seonggon, Ahn, Chi Woo, Ahn, Doo-Sik, Moon, Jiwon, Choi, Seungjoo, Kim, Joonghan, Joo, Taiha, Kim, Jeongho, Adachi, Shin-ichi, Ihee, Hyotcherl

“…Fundamental studies of chemical reactions often consider the molecular dynamics along a reaction coordinate using a calculated or suggested potential energy…”
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Mechanistic Investigation of Thermal and Photoreactions between Boron and Silane by Moon, Jiwon, Baek, Heehyun, Kim, Joonghan

“…Density functional theory and high-level ab initio calculations were performed to elucidate the detailed reaction mechanism from B and SiH4 to a structure with…”
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Optical Kerr Effect of Liquid Acetonitrile Probed by Femtosecond Time-Resolved X‑ray Liquidography by Ki, Hosung, Choi, Seungjoo, Kim, Jungmin, Choi, Eun Hyuk, Lee, Seonggon, Lee, Yunbeom, Yoon, Kihwan, Ahn, Chi Woo, Ahn, Doo-Sik, Lee, Jae Hyuk, Park, Jaeku, Eom, Intae, Kim, Minseok, Chun, Sae Hwan, Kim, Joonghan, Ihee, Hyotcherl, Kim, Jeongho

“…Optical Kerr effect (OKE) spectroscopy is a method that measures the time-dependent change of the birefringence induced by an optical laser pulse using another…”
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Extracting Kinetics and Thermodynamics of Molecules without Heavy Atoms via Time-Resolved Solvent Scattering Signals by Oang, Key Young, Park, Sungjun, Moon, Jiwon, Park, Eunji, Lee, Hyun Kyung, Sato, Tokushi, Nozawa, Shunsuke, Adachi, Shin-ichi, Kim, Joonghan, Kim, Jeongho, Sohn, Jeong-Hun, Ihee, Hyotcherl

“…Time-resolved X-ray liquidography (TRXL) has emerged as a powerful technique for studying the structural dynamics of small molecules and macromolecules in…”
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Density Functional Theory Assessment of Molecular Structures and Energies of Neutral and Anionic Aln (n = 2―10) Clusters by PARANTHAMAN, Selvarengan, KIRYONG HONG, JOONGHAN KIM, DONG EON KIM, TAE KYU KIM

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Ab Initio Analysis of Auger-Assisted Electron Transfer by Hyeon-Deuk, Kim, Kim, Joonghan, Prezhdo, Oleg V

“…Quantum confinement in nanoscale materials allows Auger-type electron–hole energy exchange. We show by direct time-domain atomistic simulation and analytic…”
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Ultrafast structural dynamics of in-cage isomerization of diiodomethane in solution by Kim, Hanui, Kim, Jong Goo, Kim, Tae Wu, Lee, Sang Jin, Nozawa, Shunsuke, Adachi, Shin-ichi, Yoon, Kihwan, Kim, Joonghan, Ihee, Hyotcherl

“…Despite extensive studies on the isomer species formed by photodissociation of haloalkanes in solution, the molecular structure of the precursor of the isomer,…”
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Highly Conjugated Side-Chain-Substituted Benzo[1,2‑b:4,5‑b′]dithiophene-Based Conjugated Polymers for Use in Polymer Solar Cells by Chung, Ha-Seul, Lee, Woo-Hyung, Song, Chang Eun, Shin, Yurim, Kim, Joonghan, Lee, Sang Kyu, Shin, Won Suk, Moon, Sang-Jin, Kang, In-Nam

“…A series of novel benzo[1,2-b:4,5-b′]dithiophene (BDT)-based conjugated polymers were synthesized using a Stille cross-coupling reaction. These polymers…”
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Dynamics of Local Chirality during SWCNT Growth: Armchair versus Zigzag Nanotubes by Kim, Joonghan, Page, Alister J, Irle, Stephan, Morokuma, Keiji

“…We present an analysis of the dynamics of single-walled carbon nanotube (SWCNT) chirality during growth, using the recently developed local chirality index…”
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Theoretical Investigation of the Reaction Mechanism of the Photoisomerization of 1,2-Dihydro-1,2-azaborine by Kim, Joonghan, Moon, Jiwon, Lim, Jeong Sik

“…The photoisomerization of 1,2‐dihydro‐1,2‐azaborine was investigated by high‐level multireference ab initio and density functional theory calculations. The…”
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High electroluminescence efficiency and long device lifetime of a fluorescent green-light emitter using aggregation-induced emission by Jung, Hyocheol, Shin, Hwangyu, Kim, Siin, Kim, Joonghan, An, Byeong-Kwan, Lee, Ji-Hoon, Ihee, Hyotcherl, Park, Jongwook

“…[Display omitted] Three bipolar materials, 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (DPAT-Ph),…”
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Direct Observation of a Transiently Formed Isomer During Iodoform Photolysis in Solution by Time-Resolved X‑ray Liquidography by Ahn, Chi Woo, Ki, Hosung, Kim, Joonghan, Kim, Jeongho, Park, Sungjun, Lee, Yunbeom, Kim, Kyung Hwan, Kong, Qingyu, Moon, Jiwon, Pedersen, Martin Nors, Wulff, Michael, Ihee, Hyotcherl

“…Photolysis of iodoform (CHI3) in solution has been extensively studied, but its reaction mechanism remains elusive. In particular, iso-iodoform (iso-CHI2–I) is…”
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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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TDDFT and MS‐CASPT2 Study of the Excited States of Para‐Methoxymethylcinnamate by Moon, Jiwon, Baek, Heehyun, Lim, Jeong Sik, Kim, Joonghan

“…The vertical and adiabatic excitation energies of the ππ*, ππ*′, and nπ* states of the trans and cis isomers of para‐methoxymethylcinnamate (p‐MMC) were…”
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Synthesis and detailed spectroscopic characterization of various hydroxy-functionalized fluorescent chalcones: A combined experimental and theoretical study by Jagadeesh, M., Lavanya, M., Hari Babu, B., Hong, Kiryong, Ma, Rory, Kim, Joonghan, Kim, Tae Kyu

“…[Display omitted] •Interpretations of IR and Raman spectra of hydroxyl-substituted chalcones.•Prepared hydroxyl-substituted chalcones as good semiconducting…”
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Reply to 'Contradictions in X-ray structures of intermediates in the photocycle of photoactive yellow protein' by Jung, Yang Ouk, Lee, Jae Hyuk, Kim, Joonghan, Schmidt, Marius, Moffat, Keith, Šrajer, Vukica, Ihee, Hyotcherl

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