Browse "Dept. of Chemistry(화학과)" by Subject EFFECTIVE CORE POTENTIALS
Showing results 75 to 92 of 92
| 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 |
| Two-component calculations of spin-orbit effects for a van der Waals molecule Rn-2 Han, YK; Bae, C; Lee, Yoon Sup, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.72, no.2, pp.139 - 143, 1999-03 |
| Two-Electron Redox Energetics in Ligand-Bridged Dinuclear Molybdenum and Tungsten Complexes Lord, Richard L.; Schultz, Franklin A.; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.49, no.10, pp.4611 - 4619, 2010-05 |
| Ultra-Stable Titanium Carbide MXene Functionalized with Heterocyclic Aromatic Amines Yun, Hwajin; Chae, Yoonjeong; Kim, Eunji; Kim, Hong Ki; Jang, Sukhyeun; Baik, Mu-Hyun; Ahn, Chi Won; et al, ADVANCED FUNCTIONAL MATERIALS, v.32, no.49, 2022-12 |
| Understanding intermolecular C-F bond activation by a transient titanium neopentylidyne: experimental and theoretical studies on the competition between 1,2-CF bond addition and [2+2]-cycloaddition/beta-fluoride elimination Fan, Hongjun; Fout, Alison R.; Bailey, Brad C.; Pink, Maren; Baik, Mu-Hyun; Mindiola, Daniel J., DALTON TRANSACTIONS, v.42, no.12, pp.4163 - 4174, 2013 |
| Understanding Intrinsically Irreversible, Non-Nernstian, Two-Electron Redox Processes: A Combined Experimental and Computational Study of the Electrochemical Activation of Platinum(IV) Antitumor Prodrugs McCormick, Meghan C.; Keijzer, Karlijn; Polavarapu, Abhigna; Schultz, Franklin A.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.136, no.25, pp.8992 - 9000, 2014-06 |
| Unraveling innate substrate control in site-selective palladium-catalyzed C-H heterocycle functionalization Choi, Hwanho; Min, Minsik; Peng, Qian; Kang, Dahye; Paton, Robert S.; Hong, Sungwoo, CHEMICAL SCIENCE, v.7, no.6, pp.3900 - 3909, 2016-05 |
| What difference one double bond makes: Electronic structure of saturated and unsaturated n-heterocyclic carbene ligands in Grubbs 2nd generation-type catalysts Lord, Richard L.; Wang, Huijun; Vieweger, Mario; Baik, Mu-Hyun, JOURNAL OF ORGANOMETALLIC CHEMISTRY, v.691, no.24-25, pp.5505 - 5512, 2006-12 |
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