KOSEN 한인과학기술자네트워크

. Kyung-Bin Cho, Fahmi Himo, Astrid Gräslund and Per E. M. Siegbahn, The Substrate Reaction Mechanism of class III Anaerobic Ribonucleotide Reductase, J. Phys. Chem. B, 2001, 105, 6445-6452. DOI: 10.1021/jp0107614

2. Kyung-Bin Cho, Kristian Dreij, Bengt Jernström and Astrid Gräslund, Conformations of Benzene- and Dibenzo[a,l]pyrene Diol Epoxides Studied by Density Functional Theory; Ground States, Transition States, Dynamics and Solvent Effects, Chem. Res. Toxicol., 2003, 16, 590-597. DOI: 10.1021/tx034017h

3. Kyung-Bin Cho and James W. Gauld, Quantum Chemical Calculations of the NHA Bound Nitric Oxide Synthase Active Site: O2 Binding and Implications for the Catalytic Mechanism, J. Am. Chem. Soc., 2004, 126, 10267-10270. DOI: 10.1021/ja049186i

4. Kyung-Bin Cho, Etienne Derat and Sason Shaik, Compound I of Nitric Oxide Synthase: The Active Site Protonation State, J. Am. Chem. Soc., 2007, 129, 3182-3188. DOI: 10.1021/ja066662r

5. Kyung-Bin Cho, Maria Angels Carvajal and Sason Shaik, First Half-Reaction Mechanism of Nitric Oxide Synthase: The Role of Proton and Oxygen Coupled Electron Transfer in the Reaction by Quantum Mechanics/Molecular Mechanics, J. Phys. Chem. B, 2009, 113, 336-346. DOI: 10.1021/jp8073199

6. Kyung-Bin Cho, Sason Shaik and Wonwoo Nam, Theoretical Predictions of a Highly Reactive Non-Heme Fe(IV)=O Species with a High-Spin Ground State, Chem. Commun., 2010, 46, 4511-4513. DOI: 10.1039/c0cc00292e

7. Yoon Hye Kwon, Binh Khanh Mai, Yong-Min Lee, Sunder N. Dhuri, Debasish Mandal, Kyung-Bin Cho,* Yongho Kim,* Sason Shaik,* and Wonwoo Nam,* Determination of Spin Inversion Probability, H-Tunneling Correction and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes, J. Phys. Chem. Lett., 2015, 6, 1472-1476. DOI: 10.1021/acs.jpclett.5b00527

8. Kyung-Bin Cho,* Hajime Hirao,* Sason Shaik* and Wonwoo Nam,* To rebound or dissociate? This is the mechanistic question in C-H hydroxylation by heme and nonheme metal-oxo complexes, Chem. Soc. Rev., 2016, 45, 1197-1210. DOI: 10.1039/C5CS00566C

9. Kyung-Bin Cho and Wonwoo Nam, A theoretical study into a trans-dioxo MnV porphyrin complex that does not follow oxygen rebound mechanism in C-H bond activation reactions, Chem. Commun., 2016, 52, 904-907. DOI: 10.1039/C5CC08734A

10. Na Young Lee, Debasish Mandal, Seong Hee Bae, Mi Sook Seo, Yong-Min Lee, Sason Shaik, Kyung-Bin Cho* and Wonwoo Nam,* Structure and Spin State of Nonheme FeIVO Complexes Depending on Temperature: Predictive Insights from DFT Calculations and Experiments, Chem. Sci., 2017, 8, 5460-5467. DOI: 10.1039/C7SC01738C