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Showing results 1 to 60 of 92

1	1,2-CF bond activation of perfluoroarenes and alkylidene isomers of titanium. DFT analysis of the C-F bond activation pathway and rotation of the titanium alkylidene moiety Andino, Jose G.; Fan, Hongjun; Fout, Alison R.; Bailey, Brad C.; Baik, Mu-Hyun; Mindiola, Daniel J., JOURNAL OF ORGANOMETALLIC CHEMISTRY, v.696, no.25, pp.4138 - 4146, 2011-12
2	3,5-Diarylimidazo[1,2-a]pyridines as Color-Tunable Fluorophores Lee, Ju Young; Shim, Jae Yul; Kim, Hongki; Ko, Donguk; Baik, Mu-Hyun; Yoo, Eun Jeong, JOURNAL OF ORGANIC CHEMISTRY, v.82, no.8, pp.4352 - 4361, 2017-04
3	A highly selective turn-on chemosensor for Zn2+ in aqueous media and living cells Jung, Jae Min; Lee, Seong Youl; Nam, Eunju; Lim, Mi Hee; Kim, Cheal, SENSORS AND ACTUATORS B-CHEMICAL, v.244, pp.1045 - 1053, 2017-06
4	A PET-based fluorometric chemosensor for the determination of mercury(II) and pH, and hydrolysis reaction-based colorimetric detection of hydrogen sulfide Lee, Jae Jun; Kim, Yong Sung; Nam, Eunju; Lee, Sun Young; Lim, Mi Hee; Kim, Cheal, DALTON TRANSACTIONS, v.45, no.13, pp.5700 - 5712, 2016-04
5	A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N-2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage? Tran, Ba L.; Pinter, Balazs; Nichols, Adam J.; Konopka, Felicia T.; Thompson, Rick; Chen, Chun-Hsing; Krzystek, J.; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.31, pp.13035 - 13045, 2012-08
6	A Redox Non-Innocent Ligand Controls the Life Time of a Reactive Quartet Excited State - An MCSCF Study of [Ni(H)(OH)](+) Dede, Yavuz; Zhang, Xinhao; Schlangen, Maria; Schwarz, Helmut; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, no.35, pp.12634 - 12642, 2009-09
7	A single fluorescent chemosensor for multiple targets of Cu2+, Fe2+/3(+) and Al3+ in living cells and a near-perfect aqueous solution Jo, Tae Geun; Jung, Jae Min; Han, Jiyeon; Lim, Mi Hee; Kim, Cheal, RSC ADVANCES, v.7, no.46, pp.28723 - 28732, 2017-05
8	A Transient Vanadium(III) Neopentylidene Complex. Redox Chemistry and Reactivity of the V=(CHBu)-Bu-t Functionality Kilgore, Uriah J.; Sengelaub, Caitlin A.; Fan, Hongjun; Tomaszewski, John; Karty, Jonathan A.; Baik, Mu-Hyun; Mindiola, Daniel J., ORGANOMETALLICS, v.28, no.3, pp.843 - 852, 2009-02
9	A water-soluble ﬂuorescence chemosensor for the sequential detection of Zn2+ and pyrophosphate in living cells and zebraﬁsh Kang, Ji Hye; Han, Ji Yeon; Lee, Hyo Jin; Lim, Mi Hee; Kim, Ki Tae; Kim, Cheal, DYES AND PIGMENTS, v.152, pp.131 - 138, 2018-05
10	Ab initio calculations of the electronic states of KRb Park, SJ; Choi, YJ; Lee, Yoon Sup; Jeung, GH, CHEMICAL PHYSICS, v.257, no.2-3, pp.135 - 145, 2000-07
11	Activation of the Basal Plane in Two Dimensional Transition Metal Chalcogenide Nanostructures Han, Jae Hyo; Kim, Hong Ki; Baek, Bongkwan; Han, Jeonghee; Ahn, Hyun S.; Baik, Mu-Hyun; Cheon, Jinwoo, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.140, no.42, pp.13663 - 13671, 2018-10
12	Addition of Si-H and B-H Bonds and Redox Reactivity Involving Low-Coordinate Nitrido-Vanadium Complexes Thompson, Rick; Tran, Ba L.; Ghosh, Soumya; Chen, Chun-Hsing; Pink, Maren; Gao, Xinfeng; Carroll, Patrick J.; et al, INORGANIC CHEMISTRY, v.54, no.6, pp.3068 - 3077, 2015-03
13	An Isolable Azide Adduct of Titanium(II) Follows Bifurcated Deazotation Pathways to an Imide Reinholdt, Anders; Kwon, Seongyeon; Jafari, Mehrafshan G.; Gau, Michael R.; Caroll, Patrick J.; Lawrence, Chad; Gu, Jun; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.144, no.1, pp.527 - 537, 2022-01
14	Ancillary ligand increases the efficiency of heteroleptic Ir-based triplet emitters in OLED devices Baek, Seung-yeol; Kwak, Seung-Yeon; Kim, Seoung-Tae; Hwang, Kyu Young; Koo, Hyun; Son, Won-Joon; Choi, Byoungki; et al, NATURE COMMUNICATIONS, v.11, 2020-05
15	Bifunctional binding of cisplatin to DNA: Why does cisplatin form 1,2-intrastrand cross-links with AG but not with GA? Mantri, Yogita; Lippard, Stephen J.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, no.16, pp.5023 - 5030, 2007-04
16	Carbon Dioxide Promoted H+ Reduction Using a Bis(imino)pyridine Manganese Electrocatalyst Mukhopadhyay, Tufan K.; MacLean, Nicholas L.; Gan, Lu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Jones, Anne K.; et al, INORGANIC CHEMISTRY, v.54, no.9, pp.4475 - 4482, 2015-05
17	cis,cis-[(bpy)(2)(RuO)-O-V](2)O4+ catalyzes water oxidation formally via in situ generation of radicaloid Ru-IV-O center dot Yang, X; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.128, no.23, pp.7476 - 7485, 2006-06
18	Comparative Investigations of Cp*-Based Group 9 Metal-Catalyzed Direct C-H Amination of Benzamides Figg, Travis M.; Park, Sehoon; Park, Juhyeon; Chang, Sukbok; Musaev, Djamaladdin G., ORGANOMETALLICS, v.33, no.15, pp.4076 - 4085, 2014-08
19	Comparing the Electronic Structure of Iron, Cobalt, and Nickel Compounds That Feature a Phosphine-Substituted Bis(imino)pyridine Chelate Mena, Matthew R.; Kim, Jun-Hyeong; So, Sangho; Ben-Daat, Hagit; Porter, Tyler M.; Ghosh, Chandrani; Sharma, Anuja; et al, INORGANIC CHEMISTRY, v.61, no.17, pp.6438 - 6450, 2022-05
20	Computational and spectroscopic characterization of key intermediates of the Selective Catalytic Reduction cycle of NO on zeolite-supported Cu catalyst Crandell, Douglas W.; Zhu, Haiyang; Yang, Xiaofan; Hochmuth, John; Baik, Mu-Hyun, INORGANICA CHIMICA ACTA, v.430, pp.132 - 143, 2015-05
21	Computer-aided rational design of Fe(III)-catalysts for the selective formation of cyclic carbonates from CO2 and internal epoxides Sinha, Indranil; Lee, Yu Seop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min Seob; Kim, Jin; et al, CATALYSIS SCIENCE & TECHNOLOGY, v.7, no.19, pp.4375 - 4387, 2017-10
22	Computing redox potentials in solution: Density functional theory as a tool for rational design of redox agents Baik, Mu-Hyun; Friesner, RA, JOURNAL OF PHYSICAL CHEMISTRY A, v.106, no.32, pp.7407 - 7412, 2002-08
23	Controlled Regulation of the Nitrile Activation of a Peroxocobalt(III) Complex with Redox-Inactive Lewis Acidic Metals Kim, Kyungmin; Cho, Dasol; Noh, Hyeonju; Ohta, Takehiro; Baik, Mu-Hyun; Cho, Jaeheung, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.143, no.30, pp.11382 - 11392, 2021-08
24	Coverage dependence of glycine adsorption on the Ge(100)-2 x 1 surface Kachian, JS; Jung, S; Kim, Sehun; Bent, SF, SURFACE SCIENCE, v.605, no.7-8, pp.760 - 769, 2011-04
25	Cyclo-P-3 Complexes of Vanadium: Redox Properties and Origin of the P-31 NMR Chemical Shift Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.137, no.48, pp.15247 - 15261, 2015-12
26	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
27	(+)-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
28	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
29	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
30	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
31	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
32	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
33	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
34	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
35	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
36	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
37	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
38	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
39	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
40	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
41	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
42	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
43	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
44	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
45	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
46	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
47	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
48	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
49	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
50	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
51	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
52	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
53	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
54	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
55	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
56	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
57	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
58	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
59	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
60	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

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