Digital Library[ Search Result ]
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)
Search : "[ keyword: Atomic charge ]" (12)
Modeling Partial Atomic Charge of Organic Molecule and Mutated Amino Acid in a Protein-Ligand Complex for Molecular Mechanics Simulation

Prediction of Reaction Intermediate(s) of Pentachlorophenol Degradation: An Application of Atomic Charge Distribution Calculations
Byung-Dae Lee Min-Joo Lee Shun-Hwa Lee Chul-Hee Lee Yeoung-Chan Kim
Vol. 32, No. 10, pp. 3549-3550, Oct. 2011
10.5012/bkcs.2011.32.10.3549
Vol. 32, No. 10, pp. 3549-3550, Oct. 2011


S···S Interaction in Pd(II) Complexes of Bis(phosphino)oligothiophene with Various Substituents
Mahreen Arooj Kyeong Hyeon Kim Dong Hwan Kim Byung Sun Kim Gye Young Park
Si Hwa Jeong Sung Chul Shin Jong Keun Park
Vol. 30, No. 12, pp. 3079-3081, Dec. 2009
10.5012/bkcs.2009.30.12.3079
Si Hwa Jeong Sung Chul Shin Jong Keun Park
Vol. 30, No. 12, pp. 3079-3081, Dec. 2009

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods
Huan Mei Guo Xian Wang Fang Fang Jian Hai Lian Xiao Pu Su Zhao
Vol. 30, No. 5, pp. 1061-1066, May 2009
10.5012/bkcs.2009.30.5.1061
Vol. 30, No. 5, pp. 1061-1066, May 2009

Prediction of Hydroxyl Substitution Site(s) of Phenol, Monochlorophenols and 4-Chloronitrobenzene by Atomic Charge Distribution Calculations
Geometrical Structures of the First Solvation Shell of the [PdCl4]2- Core: Charge-Dipole vs Dipole-Dipole Interaction of (PdII…Solvent)
Geometrical Characteristics and Reactivities of Tetracoordinated Pd Complexes: Mono- and Bidentate Ligands and Charged and Uncharged Ligands
Jin-seon Yoo Dong-su Ha Jae Sang Kim Bong Gon Kim Jong Keun Park
Vol. 29, No. 3, pp. 627-640, Mar. 2008
10.5012/bkcs.2008.29.3.627
Vol. 29, No. 3, pp. 627-640, Mar. 2008

Quantum Chemical Studies on Nicotinato Lead(II) Complex [Pb(II)(C5H4NCOO)2]
Pu Su Zhao Rong Qing Li Jie Song Meng Ping Guo
Vol. 29, No. 3, pp. 546-550, Mar. 2008
10.5012/bkcs.2008.29.3.546
Vol. 29, No. 3, pp. 546-550, Mar. 2008

Characteristic Effects of 4,5-Disubstituted Pyridazin-3-one Derivatives with Various Functional Groups: Ab initio Study
Yong-Jin Yoon In-Sun Koo Jong Keun Park
Vol. 28, No. 8, pp. 1363-1370, Aug. 2007
10.5012/bkcs.2007.28.8.1363
Vol. 28, No. 8, pp. 1363-1370, Aug. 2007
