Search Results - "Park, Young Choon"

Prevalence of scabies in long-term care hospitals in South Korea by Kim, Dong-Hee, Yun, Sook Young, Park, Young Choon, Kang, Shin Ae, Yu, Hak Sun

“…Background Scabies is a common contagious skin disease. With the economic growth in South Korea, the incidence of scabies has decreased. However, with the…”
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Solid‐State Molecular Motions in Organic THz Generators by Kim, Jongtaek, Park, Young Choon, Seok, Jin‐Hong, Jazbinsek, Mojca, Kwon, O‐Pil

“…Organic nonlinear optical salt crystals are widely used as efficient broadband THz generators. Although solid state molecular motions of organic crystals can…”
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Electrochemical Ammonia Synthesis Mediated by Titanocene Dichloride in Aqueous Electrolytes under Ambient Conditions by Jeong, Eun-Young, Yoo, Chung-Yul, Jung, Chan Hee, Park, Jong Hyun, Park, Young Choon, Kim, Jong-Nam, Oh, Seong-Geun, Woo, Youngmin, Yoon, Hyung Chul

“…Under ambient conditions, the catalytic and electrocatalytic syntheses of ammonia from nitrogen and various proton sources including wet tetrahydrofuran (THF)…”
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Nuclear motion captured by the slow electron velocity imaging technique in the tunnelling predissociation of the S1 methylamine by Ahn, Doo-Sik, Lee, Jeongmook, Park, Young Choon, Lee, Yoon Sup, Kim, Sang Kyu

“…Predissociation dynamics of methylamines (CH(3)NH(2) and CH(3)ND(2)) on the first electronically excited states are studied using the slow-electron velocity…”
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Binding energies of hydrogen-bonded clusters from extrapolation-oriented basis sets by Hwang, Ryong, Park, Young Choon, Lee, Jae Shin

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Ambient Carbon Dioxide Capture by Boron-Rich Boron Nitride Nanotube by Choi, Heechol, Park, Young Choon, Kim, Yong-Hyun, Lee, Yoon Sup

“…Carbon dioxides (CO2) emitted from large-scale coal-fired power stations or industrial manufacturing plants have to be properly captured to minimize…”
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On the relation between adiabatic time dependent density functional theory (TDDFT) and the ΔSCF-DFT method. Introducing a numerically stable ΔSCF-DFT scheme for local functionals based on constricted variational DFT by Park, Young Choon, Krykunov, Mykhaylo, Ziegler, Tom

“…In ΔSCF density functional theory studies of a i → a transition one performs separate fully self-consistent field calculations on the ground state…”
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Self-Consistent Constricted Variational Theory RSCF-CV(∞)-DFT and Its Restrictions To Obtain a Numerically Stable ΔSCF-DFT-like Method: Theory and Calculations for Triplet States by Park, Young Choon, Senn, Florian, Krykunov, Mykhaylo, Ziegler, Tom

“…In this paper, the relaxed self-consistent field infinite order constricted variational density functional theory (RSCF-CV(∞)-DFT) for triplet calculations is…”
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Self-Consistent Constricted Variational Theory RSCF-CV([infinity])-DFT and Its Restrictions To Obtain a Numerically Stable [Delta]SCF-DFT-like Method: Theory and Calculations for Triplet States by Park, Young Choon, Senn, Florian, Krykunov, Mykhaylo, Ziegler, Tom

“…In this paper, the relaxed self-consistent field infinite order constricted variational density functional theory (RSCF-CV([infinity])-DFT) for triplet…”
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On the relation between adiabatic time dependent density functional theory (TDDFT) and the [Delta]SCF-DFT method. Introducing a numerically stable [Delta]SCF-DFT scheme for local functionals based on constricted variational DFT by Park, Young Choon, Krykunov, Mykhaylo, Ziegler, Tom

“…In [Delta]SCF density functional theory studies of a i -> a transition one performs separate fully self-consistent field calculations on the ground state…”
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Spin–orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods by Kim, Inkoo, Park, Young Choon, Kim, Hyungjun, Lee, Yoon Sup

“…Spinor-based correlated methods are reliable in most cases, but coupled-cluster methods are very effective in recovering spin-orbit effects even for orbital…”
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First-Principles Calculation of Terahertz Absorption with Dispersion Correction of 2,2′-Bithiophene as Model Compound by Kim, Jongtaek, Kwon, O-Pil, Jazbinsek, Mojca, Park, Young Choon, Lee, Yoon Sup

“…Terahertz absorption of organic materials is closely linked to molecular arrangements and their intermolecular interactions and is important for material…”
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A DFT Study on the Direct CF2 Fragmentation Mechanisms of 1,3-C4F6 and 1,3-C4F6+ in Plasma by Choi, Heechol, Park, Young Choon, Im, Yeon-Ho, Kwon, Deuk-Chul, Chung, Sang-Young

“…Elucidation of the CF 2 generation mechanism in 1,3-C 4 F 6 gas plasma has been one of the important issues for experimental and theoretical researchers…”
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Dynamic Symmetry Breaking Hidden in Fano Resonance of a Molecule: S 1 State of Diazirine Using Quantum Wave Packet Propagation by Park, Young Choon, An, Heesun, Lee, Yoon Sup, Baeck, Kyung Koo

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Accurate ab Initio Binding Energies of the Benzene Dimer by Park, Young Choon, Lee, Jae Shin

“…Accurate binding energies of the benzene dimer at the T and parallel displaced (PD) configurations were determined using the single- and double-coupled cluster…”
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Dynamic Symmetry Breaking Hidden in Fano Resonance of a Molecule: S1 State of Diazirine Using Quantum Wave Packet Propagation by Park, Young Choon, An, Heesun, Lee, Yoon Sup, Baeck, Kyung Koo

“…Fano resonance in the predissociation of the S1 state of diazirine was studied by applying a time-dependent wave packet propagation method, and dynamic…”
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Rapid Dye Regeneration Mechanism of Dye-Sensitized Solar Cells by Jeon, Jiwon, Park, Young Choon, Han, Sang Soo, Goddard, William A, Lee, Yoon Sup, Kim, Hyungjun

“…During the light-harvesting process of dye-sensitized solar cells (DSSCs), the hole localized on the dye after the charge separation yields an oxidized dye,…”
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Theoretical study of the extremely small torsional barriers of thiophenol in the ground and the first excited electronic states by Choi, Heechol, Park, Young Choon, Lee, Yoon Sup, An, Heesun, Baeck, Kyoung Koo

“…•Theoretical study of the extremely small barrier of the SH rotation of thiophenol.•The performance of MP2, CASSCF(12,11), and DFT (B3LYP, HTCH and ωB97X-D)…”
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Wave-packet propagation study of the early-time non-adiabatic dissociation dynamics of NH3Cl: Diabatic picture, effects of isotope substitution and varying the initial vibration levels by Park, Young Choon, An, Heesun, Choi, Heechol, Lee, Yoon Sup, Baeck, Kyoung Koo

“…Reduced two-dimensional (2D) diabatic potential energy surfaces (PESs) of the two lowest electronic states of NH 3 Cl were constructed by using the adiabatic…”
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Density functional theory calculations for simple prototypes of perfluorocarbons: neutral and anionic c-C4F8 and 2-C4F8 by Choi, Heechol, Park, Young Choon, Lee, Yoon Sup, Baeck, Kyoung Koo

“…Performance of eight DFT functionals and basis sets for the computations of ring-puckering angle, electron affinity, and the inversion barriers to the…”
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