Browse "Dept. of Chemistry(화학과)" by Subject EFFECTIVE CORE POTENTIALS
Showing results 26 to 85 of 92
| Detection of Zinc(II) by a Fluorescence Chemosensor Based on Benzofuran in Aqueous Media and Live Cells Jang, Hyo Jung; Kim, Ahran; Jung, Jae Min; Lee, Misun; Lim, Mi Hee; Kim, Cheal, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.39, no.12, pp.1349 - 1471, 2018-12 |
| (+)-Dimericbiscognienyne A: Total Synthesis and Mechanistic Investigations of the Key Heterodimerization Kim, Geon; Chung, Garam; Kim, MyungJo; Han, Sunkyu; Lee, Hee-Yoon, ORGANIC LETTERS, v.20, no.21, pp.6886 - 6890, 2018-10 |
| Dioxygen activation in methane monooxygenase: A theoretical study Gherman, BF; Baik, Mu-Hyun; Lippard, SJ; Friesner, RA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.9, pp.2978 - 2990, 2004-03 |
| Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.141, no.38, pp.15327 - 15337, 2019-09 |
| Enantioselective Rhodium-Catalyzed Pauson-Khand Reactions of 1,6-Chloroenynes with 1,1-Disubstituted Olefins Ylagan, Ridge Michael P.; Lee, Eric Jaewon; Negru, Daniela E.; Ricci, Paolo; Park, Bohyun; Ryu, Haram; Baik, Mu-Hyun; et al, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.62, no.23, 2023-06 |
| Experimental and Computational Studies on the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Aldehydes for the Synthesis of 2-Alkylphenol, Benzofuran, and Xanthene Derivatives Pannilawithana, Nuwan; Pudasaini, Bimal; Baik, Mu-Hyun; Yi, Chae S., JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.143, no.33, pp.13428 - 13440, 2021-08 |
| Experimental and Computational Study of the (Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S., JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.140, no.32, pp.10289 - 10296, 2018-08 |
Fluorescent determination of zinc by a quinoline-based chemosensor in aqueous media and zebrafish Chae, Ju Byeong; Yun, Dongju; Kim, Sehoon; Lee, Hyojin; Kim, Mingeun; Lim, Mi Hee; Kim, Ki-Tae; et al, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v.219, pp.74 - 82, 2019-08 |
| Fluorescent Sensor for Sequentially Monitoring Zinc(II) and Cyanide Anion in Near-Perfect Aqueous Media Jang, Hyo Jung; Kang, Ji Hye; Lee, Misun; Lim, Mi Hee; Kim, Cheal, INDUSTRIAL ENGINEERING CHEMISTRY RESEARCH, v.57, no.1, pp.54 - 62, 2018-01 |
| How a [Co-IV - O](2+) Fragment Oxidizes Water: Involvement of a Biradicaloid [Co-II-(center dot O center dot)](2+) Species in Forming the O-O Bond Crandell, Douglas W.; Ghosh, Soumya; Berlinguette, Curtis P.; Baik, Mu-Hyun, CHEMSUSCHEM, v.8, no.5, pp.844 - 852, 2015-03 |
| How a Redox-Innocent Metal Promotes the Formal Reductive Elimination of Biphenyl Using Redox-Active Ligands Ashley, Daniel Charles; Baik, Mu-Hyun, CHEMISTRY-A EUROPEAN JOURNAL, v.21, no.11, pp.4308 - 4314, 2015-03 |
| How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations Friesner, RA; Baik, Mu-Hyun; Gherman, BF; Guallar, V; Wirstam, M; Murphy, RB; Lippard, SJ, COORDINATION CHEMISTRY REVIEWS, v.238, pp.267 - 290, 2003-03 |
| Hydrogen transfer between ligands: A density functional study of the rearrangement of M(eta(6)-C7H8)(2) into M(eta(7)-C7H7)(eta(5)-C7H9) [M = Mo, Mo+, Zr] Herbert, BJ; Baik, Mu-Hyun; Green, JC, ORGANOMETALLICS, v.23, no.11, pp.2658 - 2669, 2004-05 |
| Hydroxylation of methane by non-heme diiron enzymes: Molecular orbital analysis of C-H bond activation by reactive intermediate Q Baik, Mu-Hyun; Gherman, BF; Friesner, RA; Lippard, SJ, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.124, no.49, pp.14608 - 14615, 2002-12 |
| In vitro and vivo application of a rhodanine-based fluorescence sensor for detection and bioimaging of In3+ at neutral Ph Yang, Minuk; Lee, Jae Jun; Yun, Dongju; So, Haeri; Yi, Yelim; Lim, Mi Hee; Lee, Hyojin; et al, JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, v.434, 2023-01 |
| Installing a molecular truss beam stabilizes MOF structures Kim, Hong Ki; Jung, Jong-Yeong; Kang, Gyumin; Baik, Mu-Hyun; Choi, Eun-Young, NPJ COMPUTATIONAL MATERIALS, v.8, no.1, 2022-05 |
| Intramolecular Oxyl Radical Coupling Promotes O-O Bond Formation in a Homogeneous Mononuclear Mn-based Water Oxidation Catalyst: A Computational Mechanistic Investigation Crandell, Douglas W.; Xu, Song; Smith, Jeremy M.; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.56, no.8, pp.4435 - 4445, 2017-04 |
| KPACK: Relativistic Two-component Ab Initio Electronic Structure Program Package Kim, Inkoo; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.34, no.1, pp.179 - 187, 2013-01 |
| Ligand non-innocence allows isolation of a neutral and terminal niobium nitride Senthil, Shuruthi; Kwon, Seongyeon; Im, Hoyoung; Gau, Michael R.; Baik, Mu-Hyun; Mindiola, Daniel J., CHEMICAL COMMUNICATIONS, v.58, no.84, pp.11795 - 11798, 2022-10 |
| Mechanism of Redox-Active Ligand-Assisted Nitrene-Group Transfer in a Zr-IV Complex: Direct Ligand-to-Ligand Charge Transfer Preferred Ghosh, Soumya; Baik, Mu-Hyun, CHEMISTRY-A EUROPEAN JOURNAL, v.21, no.4, pp.1780 - 1789, 2015-01 |
| Mechanistic studies on the hydroxylation of methane by methane monooxygenase Baik, Mu-Hyun; Newcomb, M; Friesner, RA; Lippard, SJ, CHEMICAL REVIEWS, v.103, no.6, pp.2385 - 2419, 2003-06 |
| Mechanistic study of styrene aziridination by iron(iv) nitrides Crandell, Douglas W.; Munoz, Salvador B., III; Smith, Jeremy M.; Baik, Mu-Hyun, CHEMICAL SCIENCE, v.9, no.45, pp.8542 - 8552, 2018-12 |
| Neutral and Anionic Gold Decamers: Planar Structure with Unusual Spatial Charge-Spin Separation Choi, YC; Kim, Woo Youn; Lee, HM; Kim, KS, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.5, no.5, pp.1216 - 1223, 2009-05 |
| Nickel-Carbon Bond Oxygenation with Green Oxidants via High-Valent Nickel Species Hu, Chi-Herng; Kim, Seoung-Tae; Baik, Mu-Hyun; Mirica, Liviu M., JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.145, no.20, pp.11161 - 11172, 2023-05 |
| Oxidatively induced reactivity in Rh(iii)-catalyzed 7-azaindole synthesis: insights into the role of the silver additive Ryu, Ho; Pudasaini, Bimal; Cho, Dasol; Hong, Sungwoo; Baik, Mu-Hyun, CHEMICAL SCIENCE, v.13, no.36, pp.10707 - 10714, 2022-08 |
| Palladium-Catalyzed Divergent Arylation of Triazolopyridines: A Computational Study AbuSalim, Deyaa I.; Hong, Sungwoo; Baik, Mu-Hyun, CHEMISTRY-AN ASIAN JOURNAL, v.13, no.17, pp.2505 - 2510, 2018-09 |
| Pitfalls in Computational Modeling of Chemical Reactions and How To Avoid Them Ryu, Ho; Park, Jiyong; Kim, Hong Ki; Park, Ji Young; Kim, Seoung Tae; Baik, Mu-Hyun, ORGANOMETALLICS, v.37, no.19, pp.3228 - 3239, 2018-10 |
| Rationally Designing Regiodivergent Dipolar Cycloadditions: Frontier Orbitals Show How To Switch between [5+3] and [4+2] Cycloadditions Baek, Seung-yeol; Lee, Ju Young; Ko, Donguk; Baik, Mu-Hyun; Yoo, Eun Jeong, ACS CATALYSIS, v.8, no.7, pp.6353 - 6361, 2018-07 |
| Redox Properties of Tanaka's Water Oxidation Catalyst: Redox Noninnocent Ligands Dominate the Electronic Structure and Reactivity Ghosh, Soumya; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.50, no.13, pp.5946 - 5957, 2011-07 |
| Relay detection of Zn2+ and S2- by a quinoline-based fluorescent chemosensor in aqueous media and zebrafish Hwang, Suh Mi; Yun, Dongju; Lee, Hyojin; Kim, Mingeun; Lim, Mi Hee; Kim, Ki-Tae; Kim, Cheal, DYES AND PIGMENTS, v.165, pp.264 - 272, 2019-06 |
| Ring-Slippage and Multielectron Redox Properties of Fe/Ru/Os-Bis(arene) Complexes: Does Hapticity Change Really Cause Potential Inversion? Lord, Richard L.; Schauer, Cynthia K.; Schultz, Franklin A.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.133, no.45, pp.18234 - 18242, 2011-11 |
| Scope and Mechanistic Studies on the Ruthenium-Catalyzed Multicomponent Deaminative C-H Coupling Reaction of Phenols with Aldehydes and Enamines for the Formation of Xanthene and Dioxacyclic Derivatives Pannilawithana, Nuwan; Son, Mina; Hwang, Donghun; Baik, Mu-Hyun; Yi, Chae S., ACS CATALYSIS, v.13, no.13, pp.9051 - 9063, 2023-06 |
| Scorpionate Catalysts for Coupling CO2 and Epoxides to Cyclic Carbonates: A Rational Design Approach for Organocatalysts Hong, Mannkyu; Kim, Yoseph; Kim, Hyejin; Cho, Hee Jin; Baik, Mu-Hyun; Kim, Youngjo, JOURNAL OF ORGANIC CHEMISTRY, v.83, no.16, pp.9370 - 9380, 2018-08 |
| Selective ring expansion and C-H functionalization of azulenes Park, Sangjune; Kim, Cheol-Eui; Jeong, Jinhoon; Ryu, Ho; Maeng, Chanyoung; Kim, Dongwook; Baik, Mu-Hyun; et al, NATURE COMMUNICATIONS, v.14, no.1, 2023-12 |
| Spin-Orbit and Electron Correlation Effects on the Structure of EF(3) (E = I, At, and Element 117) Kim, Hyoseok; Choi, Yoon Jeong; Lee, Yoon Sup, JOURNAL OF PHYSICAL CHEMISTRY B, v.112, no.50, pp.16021 - 16029, 2008-12 |
| Spin-orbit and relativistic effects on structures and stabilities of group 17 fluorides EF3 (E = I, At, and element 117): Relativity induced stability for the D-3h structure of (117)F-3 Bae, C; Han, YK; Lee, Yoon Sup, JOURNAL OF PHYSICAL CHEMISTRY A, v.107, no.6, pp.852 - 858, 2003-02 |
| Spin-orbit coupling and electron correlation in relativistic configuration interaction and coupled-cluster methods Kim, In-Koo; Park, Young-Choon; Kim, Hyung-Jun; Lee, Yoon-Sup, CHEMICAL PHYSICS, v.395, no.1, pp.115 - 121, 2012-02 |
| Spin-orbit density functional theory calculations for (X = F, Cl, Br and I) molecules Cho, WK; Choi, YJ; Lee, Yoon Sup, MOLECULAR PHYSICS, v.103, no.15-16, pp.2117 - 2122, 2005-08 |
| Spin-orbit density functional theory calculations for heavy metal monohydrides Choi, YJ; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.119, no.4, pp.2014 - 2019, 2003-07 |
| Spin-orbit effects calculated by a configuration interaction method using determinants of two-component molecular spinors: Test calculations on Rn and TlH Kim, M.C.; Lee, S.Y.; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.253, no.3-4, pp.216 - 222, 1996-05 |
| Spin-orbit effects calculated by two-component coupled-cluster methods: test calculations on AuH, Au-2, TlH and Tl-2 Lee, HS; Han, YK; Kim, MC; Bae, CB; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.293, no.1-2, pp.97 - 102, 1998-08 |
| Spin-orbit effects on structures of closed-shell polyatomic molecules containing heavy atoms calculated by two-component Hartree-Fock method Han, YK; Bae, C; Lee, Yoon Sup; Lee, SY, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.19, no.13, pp.1526 - 1533, 1998-10 |
| Spin-orbit Effects on the Structure of Haloiodomethane Cations CH2XI+ (X=F, Cl, Br, and I) Kim, Hyoseok; Park, Young Choon; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.35, no.3, pp.775 - 782, 2014-03 |
| Spin-orbit effects on the transactinide p-block element monohydrides MH (M=element 113-118) Han, YK; Bae, C; Son, SK; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.112, no.6, pp.2684 - 2691, 2000-02 |
| STRUCTURE AND VIBRATIONAL PROPERTIES OF METHANETHIOLATE ADSORBED ON SILVER LEE, SB; KIM, K; KIM, MS; OH, WS; Lee, Yoon Sup, JOURNAL OF MOLECULAR STRUCTURE, v.296, no.1-2, pp.5 - 13, 1993-07 |
| Structures of RgF(n), (Rg = Xe, Rn, and element 118; n = 2, 4) calculated by two-component spin-orbit methods. A spin-orbit induced isomer of (118)F-4 Han, YK; Lee, Yoon Sup, JOURNAL OF PHYSICAL CHEMISTRY A, v.103, no.8, pp.1104 - 1108, 1999-02 |
| Studying Regioisomer Formation in the Pd-Catalyzed Fluorination of Cyclic Vinyl Triflates: Evidence for in situ Ligand Modification Ye, Yuxuan; Kim, Seoung-Tae; King, Ryan P.; Baik, Mu-Hyun; Buchwald, Stephen L., ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.62, no.15, 2023-04 |
| Switching Chemoselectivity Based on the Ring Size: How to Make Ring-Fused Indoles Using Transition-Metal-Mediated Cross-Coupling Kim, Jang-Yeop; Lee, Woojong; Kang, Hyung-Joon; Jeon, Tae-Hong; Baik, Mu-Hyun; Cho, Cheon-Gyu, ACS CATALYSIS, v.11, no.20, pp.12821 - 12832, 2021-10 |
| Switching the Enantioselectivity in Catalytic [4+1] Cycloadditions by Changing the Metal Center: Principles of Inverting the Stereochemical Preference of an Asymmetric Catalysis Revealed by DFT Calculations Mazumder, Shivnath; Crandell, Douglas W.; Lord, Richard L.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.136, no.26, pp.9414 - 9423, 2014-07 |
| The convergence of spin-orbit configuration interaction calculations for TlH and (113)H Choi, YJ; Han, YK; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.115, no.8, pp.3448 - 3453, 2001-08 |
| The effect of one valence electron: Contrasting (PNP)Ni(CO) with (PNP)Ni(NO) to understand the half-bent NINO unit Fullmer, Benjamin C.; Pink, Maren; Fan, Hongjun; Yang, Xiaofan; Baik, Mu-Hyun; Caulton, Kenneth G., INORGANIC CHEMISTRY, v.47, no.9, pp.3888 - 3892, 2008-05 |
| The mechanism of selective catalytic reduction of NOx on Cu-SSZ-13-a computational study Crandell, Douglas W.; Zhu, Haiyang; Yang, Xiaofan; Hochmuth, John; Baik, Mu-Hyun, DALTON TRANSACTIONS, v.46, no.2, pp.369 - 377, 2017 |
| The Mechanism of Water Oxidation Catalysis Promoted by [tPyRU(IV)=O](2)L3+ : A Computational Study Yang, Xiaofan; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.130, no.48, pp.16231 - 16240, 2008-12 |
| The spin-orbit energy estimated from two-component spin-orbit calculations as correction terms for the Gaussian-2 (G2) theory Cho, WK; Choi, YJ; Lee, Yoon Sup, MOLECULAR PHYSICS, v.103, no.6-8, pp.925 - 929, 2005 |
| The unusual hydridicity of a cobalt bound Si-H moiety Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho, CHEMICAL COMMUNICATIONS, v.52, no.60, pp.9367 - 9370, 2016 |
| Theoretical investigation of the metal-metal interaction in dimolybdenum complexes with bridging hydride and methyl ligands Baik, Mu-Hyun; Friesner, RA; Parkin, G, POLYHEDRON, v.23, no.17, pp.2879 - 2900, 2004-11 |
| Theoretical studies of diiron(II) complexes that model features of the dioxygen-activating centers in non-heme diiron enzymes Baik, Mu-Hyun; Lee, D; Friesner, RA; Lippard, SJ, ISRAEL JOURNAL OF CHEMISTRY, v.41, no.3, pp.173 - 186, 2001 |
| Theoretical study of cisplatin binding to purine bases: Why does cisplatin prefer guanine over adenine? Baik, Mu-Hyun; Friesner, RA; Lippard, SJ, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.125, no.46, pp.14082 - 14092, 2003-11 |
| Theoretical study on the stability of N-glycosyl bonds: Why does N7-platination not promote depurination? Baik, Mu-Hyun; Friesner, RA; Lippard, SJ, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.124, no.16, pp.4495 - 4503, 2002-04 |
| Two-component calculations for the molecules containing superheavy elements: Spin-orbit effects for (117)H, (113)H, and (113)F Han, YK; Bae, C; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.110, no.18, pp.8969 - 8975, 1999-05 |
Discover
Type
- 5,810 Article
- 2,286 Conference
- 436 Patent
- 1,190 Thesis(Master)
- 1,021 Thesis(Ph.D)
Open Access
- 303 OA Article
Date issued
- 1,402 2020 - 2024
- 3,824 2010 - 2019
- 2,636 2000 - 2009
- 1,794 1990 - 1999
- 781 1980 - 1989