Browse "Dept. of Chemistry(화학과)" by Subject SOLVATION FREE-ENERGIES

Showing results 1 to 44 of 44

1
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

2
Aldehyde Carboxylation: A Concise DFT Mechanistic Study and a Hypothetical Role of CO (2) in the Origin of Life

Juhl, Martin; Kim, MyungJo; Lee, Hee-Yoon; Baik, Mu-Hyun; Lee, Ji-Woong, SYNLETT, v.30, no.9, pp.987 - 996, 2019-06

3
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

4
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

5
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

6
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

7
Conjugate Addition of Perfluoroarenes to alpha,beta-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway

Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.140, no.30, pp.9659 - 9668, 2018-08

8
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

9
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

10
(+)-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

11
Disrotatory Ring-Opening of Furans Gives Stereocontrol

Jeong, Jinhoon; Kim, Hyunjoong; Hazra, Chinmoy K.; Chang, Sukbok; Baik, Mu-Hyun, THE JOURNAL OF ORGANIC CHEMISTRY, v.84, no.17, pp.11061 - 11067, 2019-09

12
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

13
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

14
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

15
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

16
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

17
Kinetics and thermodynamics of H center dot transfer from (eta(5)-C5R5)Cr(CO)(3)H (R = Ph, Me, H) to methyl methacrylate and styrene

Tang, LH; Papish, ET; Abramo, GP; Norton, JR; Baik, Mu-Hyun; Friesner, RA; Rappe, A, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.125, no.33, pp.10093 - 10102, 2003-08

18
Low-Temperature CO2-Assisted Lithium-Oxygen Batteries for Improved Stability of Peroxodicarbonate and Excellent Cyclability

Kang, Jin-Hyuk; Park, Jiwon; Na, Moony; Choi, Rak Hyeon; Byon, Hye Ryung, ACS ENERGY LETTERS, v.7, no.12, pp.4248 - 4257, 2022-10

19
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

20
Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation

Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J., JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.139, no.13, pp.4901 - 4915, 2017-04

21
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

22
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

23
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

24
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

25
Protecting Benzylic C-H Bonds by Deuteration Doubles the Operational Lifetime of Deep-Blue Ir-Phenylimidazole Dopants in Phosphorescent OLEDs

Bae, Hye Jin; Kim, Jong Soo; Yakubovich, Alexander; Jeong, Jinhoon; Park, Sangho; Chwae, Jun; Ishibe, Satoko; et al, ADVANCED OPTICAL MATERIALS, v.9, no.16, pp.2100630, 2021-08

26
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

27
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

28
Regioselective Oxidation of C-H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host

Sundararajan, Mahesh; Park, Bohyun; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.58, no.23, pp.16250 - 16255, 2019-12

29
Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities

Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon, CATALYSIS SCIENCE & TECHNOLOGY, v.13, no.9, pp.2735 - 2747, 2023-03

30
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

31
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

32
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

33
Spin Crossover-Coupled Electron Transfer of [M(tacn)(2)](3+/2+) Complexes (tacn=1,4,7-Triazacyclononane; M = Cr, Mn, Fe, Co, Ni)

Lord, Richard L.; Schultz, Franklin A.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, no.17, pp.6189 - 6197, 2009-05

34
Studies of the generation and pericyclic behavior of cyclic pentadienyl carbanions. Alkylation reactions as an efficient route to functionalized cis-bicyclo[3.3.0]octenes

Williams, David R.; Reeves, Jonathan T.; Nag, Partha P.; Pitcock, William H., Jr.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.128, no.37, pp.12339 - 12348, 2006-09

35
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

36
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

37
The mechanism behind enhanced reactivity of unsaturated phosphorus(v) electrophiles towards thiols

Park, Yerin; Baumann, Alice L.; Moon, Hyejin; Byrne, Stephen; Kasper, Marc-Andre; Hwang, Songhwan; Sun, Han; et al, CHEMICAL SCIENCE, v.12, no.23, pp.8141 - 8148, 2021-06

38
The Mechanism of Copper-Catalyzed Trifunctionalization of Terminal Allenes

Kim, Hong Ki; Mane, Manoj, V; Montgomery, John; Baik, Mu-Hyun, CHEMISTRY-A EUROPEAN JOURNAL, v.25, no.40, pp.9456 - 9463, 2019-07

39
The Mechanism of Guanine Alkylation by Nitrogen Mustards: A Computational Study

Polavarapu, Abhigna; Stillabower, Jacob A.; Stubblefield, Skyler G. W.; Taylor, William M.; Baik, Mu-Hyun, JOURNAL OF ORGANIC CHEMISTRY, v.77, no.14, pp.5914 - 5921, 2012-07

40
The mechanism of the rhodium(I)-catalyzed [2+2+1] carbocyclization reaction of dienes and CO: A computational study

Pitcock, William H., Jr.; Lord, Richard L.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.130, no.17, pp.5821 - 5830, 2008-04

41
Torsionally Responsive C-3-Symmetric Azo Dyes: Azo-Hydrazone Tautomerism, Conformational Switching, and Application for Chemical Sensing

Lee, Ho Yong; Song, Xinli; Park, Hyunsoo; Baik, Mu-Hyun; Lee, Dongwhan, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.132, no.34, pp.12133 - 12144, 2010-09

42
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

43
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

44
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

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