List of works - Kyung-Bin Cho

A Manganese(V)-Oxo Complex: Synthesis by Dioxygen Activation and Enhancement of Its Oxidizing Power by Binding Scandium Ion.

scientific article published on 16 June 2016

A computational study on the interaction of the nitric oxide ions NO+ and NO- with the side groups of the aromatic amino acids

scientific article published on 16 February 2007

A density functional theory investigation on the mechanism of the second half-reaction of nitric oxide synthase

scientific article

A highly reactive mononuclear non-heme manganese(IV)-oxo complex that can activate the strong C-H bonds of alkanes

scientific article published on 29 November 2011

A mononuclear manganese(iii)-hydroperoxo complex: synthesis by activating dioxygen and reactivity in electrophilic and nucleophilic reactions.

scientific article published on 16 January 2018

A mononuclear non-heme manganese(IV)-oxo complex binding redox-inactive metal ions

scientific article

A mononuclear nonheme cobalt(iii)-hydroperoxide complex with an amphoteric reactivity in electrophilic and nucleophilic oxidative reactions

scientific article published on 18 May 2016

A theoretical study into a trans-dioxo Mn(V) porphyrin complex that does not follow the oxygen rebound mechanism in C-H bond activation reactions

scientific article published on 01 January 2016

Class I ribonucleotide reductase revisited: the effect of removing a proton on Glu441.

scientific article published in February 2004

Compound I in heme thiolate enzymes: a comparative QM/MM study

scientific article published on December 2008

Compound I of Nitric Oxide Synthase: The Active Site Protonation State

article published in 2007

Conformations of benzene- and dibenzo[a,l]pyrene diol epoxides studied by density functional theory: ground states, transition states, dynamics, and solvent effects.

scientific article published in May 2003

Correlating DFT-calculated energy barriers to experiments in nonheme octahedral Fe(IV)O species

scientific article published on 19 June 2012

Demonstration of the heterolytic O-O bond cleavage of putative nonheme iron(II)-OOH(R) complexes for Fenton and enzymatic reactions

scientific article published on 10 June 2014

Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes

scientific article

Dioxygen Activation by a Non-Heme Iron(II) Complex: Theoretical Study toward Understanding Ferric-Superoxo Complexes

scientific article published on 28 February 2012

Effects of substrate, protein environment, and proximal ligand mutation on compound I and compound 0 of chloroperoxidase.

scientific article published in October 2009

Electron-Transfer and Redox Reactivity of High-Valent Iron Imido and Oxo Complexes with the Formal Oxidation States of Five and Six

scientific article published on 18 February 2020

Enhanced electron-transfer reactivity of nonheme manganese(IV)-oxo complexes by binding scandium ions.

scientific article published on 06 June 2013

Evidence for an alternative to the oxygen rebound mechanism in C-H bond activation by non-heme Fe(IV)O complexes

scientific article published on 06 December 2012

Factors Controlling the Chemoselectivity in the Oxidation of Olefins by Nonheme Manganese(IV)-Oxo Complexes

scientific article published on 27 July 2016

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

scientific article

Formation of the active species of cytochrome p450 by using iodosylbenzene: a case for spin-selective reactivity

scientific article published on 01 January 2007

High-Spin Mn(V)-Oxo Intermediate in Nonheme Manganese Complex-Catalyzed Alkane Hydroxylation Reaction: Experimental and Theoretical Approach

scientific article published on 17 October 2019

Influence of Cu+ on the RS-NO bond dissociation energy of S-nitrosothiols

scientific article published on 01 February 2005

Intermetal oxygen atom transfer from an Fe(V)O complex to a Mn(III) complex: an experimental and theoretical approach.

scientific article published on 17 October 2016

Interplay of Experiment and Theory in Elucidating Mechanisms of Oxidation Reactions by a Nonheme Ru(IV)O Complex

scientific article published on 29 June 2015

Mechanistic Insight into the Nitric Oxide Dioxygenation Reaction of Nonheme Iron(III)-Superoxo and Manganese(IV)-Peroxo Complexes.

scientific article published on 4 September 2016

Mechanistic insight into the hydroxylation of alkanes by a nonheme iron(V)-oxo complex

scientific article published on 01 May 2014

Mononuclear Nonheme High-Spin (S=2) versus Intermediate-Spin (S=1) Iron(IV)-Oxo Complexes in Oxidation Reactions

scientific article published on 6 June 2016

Mononuclear nonheme iron(IV)-oxo and manganese(IV)-oxo complexes in oxidation reactions: experimental results prove theoretical prediction

scientific article published on 01 August 2015

Mutable Properties of Nonheme Iron(III)-Iodosylarene Complexes Result in the Elusive Multiple-Oxidant Mechanism

scientific article

Nonheme iron-oxo and -superoxo reactivities: O2 binding and spin inversion probability matter

scientific article published on 17 January 2012

Oxidation of tertiary amines by cytochrome p450-kinetic isotope effect as a spin-state reactivity probe

scientific article

QM/MM theoretical study of the pentacoordinate Mn(III) and resting states of manganese-reconstituted cytochrome P450(cam).

scientific article

Quantum chemical calculations of the NHA bound nitric oxide synthase active site: O2 binding and implications for the catalytic mechanism.

scientific article

Reactions of a chromium(III)-superoxo complex and nitric oxide that lead to the formation of chromium(IV)-oxo and chromium(III)-nitrito complexes

scientific article published on 30 September 2013

Redox-inactive metal ions modulate the reactivity and oxygen release of mononuclear non-haem iron(III)-peroxo complexes

scientific article

Second half-reaction of nitric oxide synthase: computational insights into the initial step and key proposed intermediate

scientific article published in December 2005

Structure and spin state of nonheme FeIVO complexes depending on temperature: predictive insights from DFT calculations and experiments

scientific article published on 30 May 2017

Synthesis and reactivity of a mononuclear non-haem cobalt(IV)-oxo complex.

scientific article published on 24 March 2017

The Fe(III)(H2O2) Complex as a Highly Efficient Oxidant in Sulfoxidation Reactions: Revival of an Underrated Oxidant in Cytochrome P450.

scientific article published on 8 May 2013

The reaction mechanism of allene oxide synthase: Interplay of theoretical QM/MM calculations and experimental investigations

scientific article published on 21 July 2010

Theoretical predictions of a highly reactive non-heme Fe(IV)=O complex with a high-spin ground state.

scientific article published on 18 May 2010

To rebound or dissociate? This is the mechanistic question in C-H hydroxylation by heme and nonheme metal-oxo complexes.

scientific article published on 21 December 2015

Tuning the Redox Properties of a Nonheme Iron(III)-Peroxo Complex Binding Redox-Inactive Zinc Ions by Water Molecules.

scientific article

Tunneling Effect That Changes the Reaction Pathway from Epoxidation to Hydroxylation in the Oxidation of Cyclohexene by a Compound I Model of Cytochrome P450.

scientific article published on 16 March 2017

List of works by Kyung-Bin Cho

A Manganese(V)-Oxo Complex: Synthesis by Dioxygen Activation and Enhancement of Its Oxidizing Power by Binding Scandium Ion.

A computational study on the interaction of the nitric oxide ions NO+ and NO- with the side groups of the aromatic amino acids

A density functional theory investigation on the mechanism of the second half-reaction of nitric oxide synthase

A highly reactive mononuclear non-heme manganese(IV)-oxo complex that can activate the strong C-H bonds of alkanes

A mononuclear manganese(iii)-hydroperoxo complex: synthesis by activating dioxygen and reactivity in electrophilic and nucleophilic reactions.

A mononuclear non-heme manganese(IV)-oxo complex binding redox-inactive metal ions

A mononuclear nonheme cobalt(iii)-hydroperoxide complex with an amphoteric reactivity in electrophilic and nucleophilic oxidative reactions

A theoretical study into a trans-dioxo Mn(V) porphyrin complex that does not follow the oxygen rebound mechanism in C-H bond activation reactions

Class I ribonucleotide reductase revisited: the effect of removing a proton on Glu441.

Compound I in heme thiolate enzymes: a comparative QM/MM study

Compound I of Nitric Oxide Synthase: The Active Site Protonation State

Conformations of benzene- and dibenzo[a,l]pyrene diol epoxides studied by density functional theory: ground states, transition states, dynamics, and solvent effects.

Correlating DFT-calculated energy barriers to experiments in nonheme octahedral Fe(IV)O species

Demonstration of the heterolytic O-O bond cleavage of putative nonheme iron(II)-OOH(R) complexes for Fenton and enzymatic reactions

Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes

Dioxygen Activation by a Non-Heme Iron(II) Complex: Theoretical Study toward Understanding Ferric-Superoxo Complexes

Effects of substrate, protein environment, and proximal ligand mutation on compound I and compound 0 of chloroperoxidase.

Electron-Transfer and Redox Reactivity of High-Valent Iron Imido and Oxo Complexes with the Formal Oxidation States of Five and Six

Enhanced electron-transfer reactivity of nonheme manganese(IV)-oxo complexes by binding scandium ions.

Evidence for an alternative to the oxygen rebound mechanism in C-H bond activation by non-heme Fe(IV)O complexes

Factors Controlling the Chemoselectivity in the Oxidation of Olefins by Nonheme Manganese(IV)-Oxo Complexes

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

Formation of the active species of cytochrome p450 by using iodosylbenzene: a case for spin-selective reactivity

High-Spin Mn(V)-Oxo Intermediate in Nonheme Manganese Complex-Catalyzed Alkane Hydroxylation Reaction: Experimental and Theoretical Approach

Influence of Cu+ on the RS-NO bond dissociation energy of S-nitrosothiols

Intermetal oxygen atom transfer from an Fe(V)O complex to a Mn(III) complex: an experimental and theoretical approach.

Interplay of Experiment and Theory in Elucidating Mechanisms of Oxidation Reactions by a Nonheme Ru(IV)O Complex

Mechanistic Insight into the Nitric Oxide Dioxygenation Reaction of Nonheme Iron(III)-Superoxo and Manganese(IV)-Peroxo Complexes.

Mechanistic insight into the hydroxylation of alkanes by a nonheme iron(V)-oxo complex

Mononuclear Nonheme High-Spin (S=2) versus Intermediate-Spin (S=1) Iron(IV)-Oxo Complexes in Oxidation Reactions

Mononuclear nonheme iron(IV)-oxo and manganese(IV)-oxo complexes in oxidation reactions: experimental results prove theoretical prediction

Mutable Properties of Nonheme Iron(III)-Iodosylarene Complexes Result in the Elusive Multiple-Oxidant Mechanism

Nonheme iron-oxo and -superoxo reactivities: O2 binding and spin inversion probability matter

Oxidation of tertiary amines by cytochrome p450-kinetic isotope effect as a spin-state reactivity probe

QM/MM theoretical study of the pentacoordinate Mn(III) and resting states of manganese-reconstituted cytochrome P450(cam).

Quantum chemical calculations of the NHA bound nitric oxide synthase active site: O2 binding and implications for the catalytic mechanism.

Reactions of a chromium(III)-superoxo complex and nitric oxide that lead to the formation of chromium(IV)-oxo and chromium(III)-nitrito complexes

Redox-inactive metal ions modulate the reactivity and oxygen release of mononuclear non-haem iron(III)-peroxo complexes

Second half-reaction of nitric oxide synthase: computational insights into the initial step and key proposed intermediate

Structure and spin state of nonheme FeIVO complexes depending on temperature: predictive insights from DFT calculations and experiments

Synthesis and reactivity of a mononuclear non-haem cobalt(IV)-oxo complex.

The Fe(III)(H2O2) Complex as a Highly Efficient Oxidant in Sulfoxidation Reactions: Revival of an Underrated Oxidant in Cytochrome P450.

The reaction mechanism of allene oxide synthase: Interplay of theoretical QM/MM calculations and experimental investigations

Theoretical predictions of a highly reactive non-heme Fe(IV)=O complex with a high-spin ground state.

To rebound or dissociate? This is the mechanistic question in C-H hydroxylation by heme and nonheme metal-oxo complexes.

Tuning the Redox Properties of a Nonheme Iron(III)-Peroxo Complex Binding Redox-Inactive Zinc Ions by Water Molecules.

Tunneling Effect That Changes the Reaction Pathway from Epoxidation to Hydroxylation in the Oxidation of Cyclohexene by a Compound I Model of Cytochrome P450.