Digital Library
Vol. 33, No. 3,
Mar. 2012
Papers since 2015 are available from Wiley.
(Bulletin of the Korean Chemical Society: List of Issues - Wiley Online Library)
(Bulletin of the Korean Chemical Society: List of Issues - Wiley Online Library)
Unusual Non-magnetic Metallic State in Narrow Silicon Carbon Nanoribbons by Electron or Hole Doping

Conformational Sampling of Flexible Ligand-binding Protein Loops
Gyu Rie Lee Woong-Hee Shin Hahnbeom Park Seokmin Shin Chaok Seok
Vol. 33, No. 3, pp. 770-774, Mar. 2012
10.5012/bkcs.2012.33.3.770
Vol. 33, No. 3, pp. 770-774, Mar. 2012


Adsorption Mechanisms of NH3 on Chlorinated Si(100)-2 × 1 Surface

Eigenfunctions for Liouville Operators, Classical Collision Operators, and Collision Bracket Integrals in Kinetic Theory Made Amenable to Computer Simulations

Isotachophoretically Assisted On-Line Complexation of Trace Metal Ions in a Highly Saline Matrix for Capillary Electrophoresis
Jihye Kim Kihwan Choi Sunyoung Cho Asif Riaz Doo Soo Chung
Vol. 33, No. 3, pp. 790-794, Mar. 2012
10.5012/bkcs.2012.33.3.790
Vol. 33, No. 3, pp. 790-794, Mar. 2012


Effects of Energetic Disorder and Mobility Anisotropy on Geminate Electron-hole Recombination in the Presence of a Donor-acceptor Heterojunction
Mariusz Wojcik Przemyslaw Michalak M. Tachiya
Vol. 33, No. 3, pp. 795-802, Mar. 2012
10.5012/bkcs.2012.33.3.795
Vol. 33, No. 3, pp. 795-802, Mar. 2012


Two-Component Spin-orbit Effective Core Potential Calculations with an All-electron Relativistic Program DIRAC
Young Choon Park Ivan S. Lim Yoon Sup Lee
Vol. 33, No. 3, pp. 803-808, Mar. 2012
10.5012/bkcs.2012.33.3.803
Vol. 33, No. 3, pp. 803-808, Mar. 2012


Study of the Resonance Structures of the Preionizing Spectrum of Molecular Hydrogen by Phase-shifted Multichannel Quantum Defect Theory

Langer Modification in WKB Quantization for Translationally Shape Invariant Potentials

Carrier Gas Assisted Solvent Vapor Treatment for Surface Nanostructuring of Molecular Thin Films
Hyejin Gong Jinhyun Kim Sanggyu Yim
Vol. 33, No. 3, pp. 825-827, Mar. 2012
10.5012/bkcs.2012.33.3.825
Vol. 33, No. 3, pp. 825-827, Mar. 2012


Comparative Study of Implicit and Explicit Solvation Models for Probing Tryptophan Side Chain Packing in Proteins

Characterization of Thermal Degradation of Polytrimethylene Terephthalate by MALDI-TOF Mass Spectrometry
Sungwoo Jang Eun Kyung Yang Sung Il Jin Young Dal Cho Eun Kyung Choe
Chan Ryang Park
Vol. 33, No. 3, pp. 833-838, Mar. 2012
10.5012/bkcs.2012.33.3.833
Chan Ryang Park
Vol. 33, No. 3, pp. 833-838, Mar. 2012


Single Crystalline NbO2 Nanowire Synthesis by Chemical Vapor Transport Method
Sunghun Lee Hana Yoon Ilsun Yoon Bongsoo Kim
Vol. 33, No. 3, pp. 839-842, Mar. 2012
10.5012/bkcs.2012.33.3.839
Vol. 33, No. 3, pp. 839-842, Mar. 2012


Kinetics and Mechanism of the Anilinolysis of Dibutyl Chlorothiophosphate in Acetonitrile
Md. Ehtesham Ul Hoque Hai Whang Lee
Vol. 33, No. 3, pp. 843-847, Mar. 2012
10.5012/bkcs.2012.33.3.843
Vol. 33, No. 3, pp. 843-847, Mar. 2012


Computational Study on Oligomer Formation of Fibril-forming peptide of α-Synuclein
SeongByeong Park Jeseong Yoon Soonmin Jang Kyunghee Lee Seokmin Shin
Vol. 33, No. 3, pp. 848-854, Mar. 2012
10.5012/bkcs.2012.33.3.848
Vol. 33, No. 3, pp. 848-854, Mar. 2012


MS-HEMs: An On-line Management System for High-Energy Molecules at ADD and BMDRC in Korea
Sung Kwang Lee Soo Gyeong Cho Jae Sung Park Kwang Yeon Kim Kyoung Tae No
Vol. 33, No. 3, pp. 855-861, Mar. 2012
10.5012/bkcs.2012.33.3.855
Vol. 33, No. 3, pp. 855-861, Mar. 2012


Calculation of the Absolute Rate of Human Cu/Zn Superoxide Dismutases from Atomic-Level Molecular Dynamics Simulations
Jinuk Lee Woojin Lee Hwangseo Park Sangyoub Lee
Vol. 33, No. 3, pp. 862-868, Mar. 2012
10.5012/bkcs.2012.33.3.862
Vol. 33, No. 3, pp. 862-868, Mar. 2012


Pharmacophore Modeling and Molecular Dynamics Simulation to Find the Potent Leads for Aurora Kinase B
Sugunadevi Sakkiah Sundarapandian Thangapandian Yongseong Kim Keun Woo Lee
Vol. 33, No. 3, pp. 869-880, Mar. 2012
10.5012/bkcs.2012.33.3.869
Vol. 33, No. 3, pp. 869-880, Mar. 2012


Very Efficient Nucleophilic Aromatic Fluorination Reaction in Molten Salts: A Mechanistic Study
Sung-Woo Jang Sung-Woo Park Byoung Se Lee Dae Yoon Chi Choong Eui Song
Sungyul Lee
Vol. 33, No. 3, pp. 881-884, Mar. 2012
10.5012/bkcs.2012.33.3.881
Sungyul Lee
Vol. 33, No. 3, pp. 881-884, Mar. 2012


Dynamics of Resonant Energy Transfer in OH Vibrations of Liquid Water

Molecular Dynamics Simulation Study on the Carbon Nanotube Interacting with a Polymer
Leton C. Saha Shabeer A. Mian Joonkyung Jang
Vol. 33, No. 3, pp. 893-896, Mar. 2012
10.5012/bkcs.2012.33.3.893
Vol. 33, No. 3, pp. 893-896, Mar. 2012


Force-induced Unbinding Dynamics in a Multidimensional Free Energy Landscape

Effect of Pore Geometry on Gas Adsorption: Grand Canonical Monte Carlo Simulation Studies
Eonji Lee Rakwoo Chang Ji-Hyung Han Taek Dong Chung
Vol. 33, No. 3, pp. 901-905, Mar. 2012
10.5012/bkcs.2012.33.3.901
Vol. 33, No. 3, pp. 901-905, Mar. 2012


Poly(ethylenimine)-Stabilized Hollow Gold-Silver Bimetallic Nanoparticles: Fabrication and Catalytic Application
Kuan Soo Shin Ji Hoon Kim In Hyun Kim Kwan Kim
Vol. 33, No. 3, pp. 906-910, Mar. 2012
10.5012/bkcs.2012.33.3.906
Vol. 33, No. 3, pp. 906-910, Mar. 2012


Potential of Mean Force Calculations for Ion Selectivity in a Cyclic Peptide Nanotube
Kyu-Min Choi Chan Ho Kwon Hong Lae Kim Hyonseok Hwang
Vol. 33, No. 3, pp. 911-916, Mar. 2012
10.5012/bkcs.2012.33.3.911
Vol. 33, No. 3, pp. 911-916, Mar. 2012


Conformational Preferences of Glycerol in the Gas Phase and in Water
Keunhong Jeong Byung Jin Byun Young Kee Kang
Vol. 33, No. 3, pp. 917-924, Mar. 2012
10.5012/bkcs.2012.33.3.917
Vol. 33, No. 3, pp. 917-924, Mar. 2012


Role of Diffusion in the Kinetics of Reversible Enzyme-catalyzed Reactions

Phase Transition of Confined Gold Nanoparticles: Replica Exchange Molecular Dynamics Study
Hyunsik Kim Feng-Yin Li Soonmin Jang
Vol. 33, No. 3, pp. 929-932, Mar. 2012
10.5012/bkcs.2012.33.3.929
Vol. 33, No. 3, pp. 929-932, Mar. 2012


Behavior of Poisson Bracket Mapping Equation in Studying Excitation Energy Transfer Dynamics of Cryptophyte Phycocyanin 645 Complex
Weon-Gyu Lee Aaron Kelly Young Min Rhee
Vol. 33, No. 3, pp. 933-940, Mar. 2012
10.5012/bkcs.2012.33.3.933
Vol. 33, No. 3, pp. 933-940, Mar. 2012


Accumulation and Decay of Macroscopic Correlations in Elementary Reactions Kinetics
Alexander B. Doktorov Alexander A. Kipriyanov Alexey A. Kipriyanov
Vol. 33, No. 3, pp. 941-952, Mar. 2012
10.5012/bkcs.2012.33.3.941
Vol. 33, No. 3, pp. 941-952, Mar. 2012


Synthesis of Biologically Active Chalcones and their Anti-inflammatory Effects
Jae-Ho Jeon Si-Jun Kim Cheol Gi Kim Jin-Kyung Kim Jong-Gab Jun
Vol. 33, No. 3, pp. 953-957, Mar. 2012
10.5012/bkcs.2012.33.3.953
Vol. 33, No. 3, pp. 953-957, Mar. 2012


The Effect of the Oxygen Scavenging System on the pH of Buffered Sample Solutions: in the Context of Single-molecule Fluorescence Measurements
Sung Eun Kim Il Buem Lee Seok-Cheol Hong
Vol. 33, No. 3, pp. 958-962, Mar. 2012
10.5012/bkcs.2012.33.3.958
Vol. 33, No. 3, pp. 958-962, Mar. 2012


Nonclassical Chemical Kinetics for description of Chemical Fluctuation in a Dynamically Heterogeneous Biological System
Yu Rim Lim Seong Jun Park Sangyoub Lee Jaeyoung Sung
Vol. 33, No. 3, pp. 963-970, Mar. 2012
10.5012/bkcs.2012.33.3.963
Vol. 33, No. 3, pp. 963-970, Mar. 2012


Facilitated Protein-DNA Binding: Theory and Monte Carlo Simulation
Kihyun Park Taejun Kim Hyojoon Kim
Vol. 33, No. 3, pp. 971-974, Mar. 2012
10.5012/bkcs.2012.33.3.971
Vol. 33, No. 3, pp. 971-974, Mar. 2012


Structure and Dynamics of Dilute Two-Dimensional Ring Polymer Solutions
Younghoon Oh Hyun Woo Cho Jeongmin Kim Chang Hyun Park Bong June Sung
Vol. 33, No. 3, pp. 975-979, Mar. 2012
10.5012/bkcs.2012.33.3.975
Vol. 33, No. 3, pp. 975-979, Mar. 2012


A Minimalist Model of Single Molecule Spectroscopy in a Dynamic Environment Studied by Metadynamics
Inrok Oh Eunsang Lee YounJoon Jung
Vol. 33, No. 3, pp. 980-986, Mar. 2012
10.5012/bkcs.2012.33.3.980
Vol. 33, No. 3, pp. 980-986, Mar. 2012


Sequence Coverage Enhancement Using Magnetic Nanoparticles in Matrix-Assisted Laser Desorption/Ionization Mass Spectrometric Protein Analysis
Eunhye Park Jin-Su Song Hie-Joon Kim
Vol. 33, No. 3, pp. 987-992, Mar. 2012
10.5012/bkcs.2012.33.3.987
Vol. 33, No. 3, pp. 987-992, Mar. 2012


Fluorescence Spectroscopic and Time-Dependent Density-functional Theory Studies of Diphenylsilane

Multistep Quantum Master Equation Theory for Response Functions in Four Wave Mixing Electronic Spectroscopy of Multichromophoric Macromolecules

Prediction of a Strong Effect of a Weak Magnetic Field on Diffusion Assisted Reactions in Non Equilibrium Conditions
Alexey A. Kipriyanov (Jr.) Peter A. Purtov
Vol. 33, No. 3, pp. 1009-1014, Mar. 2012
10.5012/bkcs.2012.33.3.1009
Vol. 33, No. 3, pp. 1009-1014, Mar. 2012


Direct Calculation Method for Excited-state Diffusion-influenced Reversible Reactions with an External Field

Comparison of Alternate Approaches for Reversible Geminate Recombination
Svetlana S. Khokhlova Noam Agmon
Vol. 33, No. 3, pp. 1020-1028, Mar. 2012
10.5012/bkcs.2012.33.3.1020
Vol. 33, No. 3, pp. 1020-1028, Mar. 2012


Time-Dependent Density Functional Theory Study on Cyclopentadithiophene- Benzothiadiazole-Based Push-Pull-Type Copolymers for New Design of Donor Materials in Bulk Heterojunction Organic Solar Cells
Jamin Ku Daekyun Kim Taekhee Ryu Eunhwan Jung Yves Lansac
Yun Hee Jang
Vol. 33, No. 3, pp. 1029-1036, Mar. 2012
10.5012/bkcs.2012.33.3.1029
Yun Hee Jang
Vol. 33, No. 3, pp. 1029-1036, Mar. 2012


Kinetics and Mechanism of the Anilinolysis of (2R,4R,5S)-(+)-2-Chloro-3,4-dimethyl -5-phenyl-1,3,2-oxazaphospholidine 2-Sulfide in Acetonitrile

Kinetics and Mechanism of the Pyridinolysis of Diethyl Isothiocyanophosphate in Acetonitrile
Keshab Kumar Adhikary Hai Whang Lee
Vol. 33, No. 3, pp. 1042-1046, Mar. 2012
10.5012/bkcs.2012.33.3.1042
Vol. 33, No. 3, pp. 1042-1046, Mar. 2012


Kinetics and Mechanism of the Pyridinolysis of (2R,4R,5S)-(+)-2-Chloro-3,4-dimethyl- 5-phenyl-1,3,2-oxazaphospholidine 2-Sulfide in Acetonitrile

Density Functional Theoretical Study on the Carbon–halide Oxidative Additions to a Rh Pincer Complex
Yongseong Kim Han Young Woo Yong-Jae Lee Sungu Hwang
Vol. 33, No. 3, pp. 1052-1054, Mar. 2012
10.5012/bkcs.2012.33.3.1052
Vol. 33, No. 3, pp. 1052-1054, Mar. 2012


Pyridinolysis of Dibutyl Chlorophosphate in Acetonitrile
Md. Ehtesham Ul Hoque Hai Whang Lee
Vol. 33, No. 3, pp. 1055-1058, Mar. 2012
10.5012/bkcs.2012.33.3.1055
Vol. 33, No. 3, pp. 1055-1058, Mar. 2012


A Structural Model of Glycosylated Neuraminidase Based on Molecular Dynamics Simulations for Virtual Inhibitor Screening Against Influenza Virus
Youngjin Choi Chanho Kwon Eunae Cho In-Cheol Kang Hyun-Ja Jeong
Sungjun Park Karpjoo Jeong Tak Hur Seunho Jung
Vol. 33, No. 3, pp. 1059-1062, Mar. 2012
10.5012/bkcs.2012.33.3.1059
Sungjun Park Karpjoo Jeong Tak Hur Seunho Jung
Vol. 33, No. 3, pp. 1059-1062, Mar. 2012


Energy Flow and Bond Dissociation in the Collision between Vibrationally Excited Toluene and HBr

Precise Size-control of Silica Nanoparticles via Alkoxy Exchange Equilibrium of Tetraethyl Orthosilicate (TEOS) in the Mixed Alcohol Solution
Joohyun Lim Shin-Woo Ha Jin-Kyu Lee
Vol. 33, No. 3, pp. 1067-1070, Mar. 2012
10.5012/bkcs.2012.33.3.1067
Vol. 33, No. 3, pp. 1067-1070, Mar. 2012


Volume-Bloch Operator Approach to Quantum Reactive Scattering on Non-orthogonal Scattering Coordinates

Amplified Spontaneous Emission of GaN Nanorods
Hyeong Seop Shim Joo Hee Seo Noh Soo Han Seung Min Park Yuri Sohn
Chinkyo Kim Jae Kyu Song
Vol. 33, No. 3, pp. 1075-1077, Mar. 2012
10.5012/bkcs.2012.33.3.1075
Chinkyo Kim Jae Kyu Song
Vol. 33, No. 3, pp. 1075-1077, Mar. 2012


Preferential Evolution of Prussian Blue's Morphology from Cube to Hexapod

Origin for Fluxional Structure of Tetracoordinate PdII Complexes
Ock Keum Kwak Jeong-Seon Choi Kyungok Park Jong Keun Park
Vol. 33, No. 3, pp. 1081-1084, Mar. 2012
10.5012/bkcs.2012.33.3.1081
Vol. 33, No. 3, pp. 1081-1084, Mar. 2012


Pyridinolysis of Dibutyl Chlorothiophosphate in Acetonitrile
Md. Ehtesham Ul Hoque Hai Whang Lee
Vol. 33, No. 3, pp. 1085-1088, Mar. 2012
10.5012/bkcs.2012.33.3.1085
Vol. 33, No. 3, pp. 1085-1088, Mar. 2012


Anilinolysis of Diethyl Isothiocyanophosphate in Acetonitrile
Hasi Rani Barai Keshab Kumar Adhikary Hai Whang Lee
Vol. 33, No. 3, pp. 1089-1092, Mar. 2012
10.5012/bkcs.2012.33.3.1089
Vol. 33, No. 3, pp. 1089-1092, Mar. 2012

