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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: DFT ]" (104)
Electric Field Dependence Experiments and ab Initio Calculations of Three Cytosine Tautomers in Superfluid Helium Nanodroplets
Ahreum Min Seung Jun Lee Myong Yong Choi Roger E Miller
Vol. 30, No. 12, pp. 3039-3044, Dec. 2009
10.5012/bkcs.2009.30.12.3039
Vol. 30, No. 12, pp. 3039-3044, Dec. 2009
10.5012/bkcs.2009.30.12.3039
Density Functional Theoretical Study on the Hydricities of Transition Metal Hydride Complexes in Water
Suk Bok Kang Young Seuk Cho Sungu Hwang
Vol. 30, No. 12, pp. 2927-2929, Dec. 2009
10.5012/bkcs.2009.30.12.2927
Vol. 30, No. 12, pp. 2927-2929, Dec. 2009
10.5012/bkcs.2009.30.12.2927
DFT Conformational Study of the Monomethoxycalix[5]arene
Kwangho Kim Sang Hyun Lee Jong In Choe
Vol. 29, No. 11, pp. 2152-0, Nov. 2008
10.5012/bkcs.2008.29.11.2152
Vol. 29, No. 11, pp. 2152-0, Nov. 2008
10.5012/bkcs.2008.29.11.2152
DFT Conformational Study of Calix[5]arene and Calix[4]arene: Hydrogen Bond
Kwangho Kim Seong Jun Park Jong In Choe
Vol. 29, No. 10, pp. 1893-1897, Oct. 2008
10.5012/bkcs.2008.29.10.1893
Vol. 29, No. 10, pp. 1893-1897, Oct. 2008
10.5012/bkcs.2008.29.10.1893
Docking and Quantum Mechanics-Guided CoMFA Analysis of b-RAF Inhibitors
M. Muddassar F. A. Pasha Kyung Ho Yoo So Ha Lee Seung Joo Cho
Vol. 29, No. 8, pp. 1499-1504, Aug. 2008
10.5012/bkcs.2008.29.8.1499
Vol. 29, No. 8, pp. 1499-1504, Aug. 2008
10.5012/bkcs.2008.29.8.1499
DFT Study for Cage-annulated p-tert-Butylcalix[4]crown-ether Complexed with Potassium Ion
Kwangho Kim Seong Jun Park Jong-In Choe
Vol. 29, No. 7, pp. 1374-1378, Jul. 2008
10.5012/bkcs.2008.29.7.1374
Vol. 29, No. 7, pp. 1374-1378, Jul. 2008
10.5012/bkcs.2008.29.7.1374
The Studies on Molecular Geometries and Electronic Structures of Substituted meso-Catecholic Porphyrins: DFT Methods and NSD
Seung Hyun Park Su Jin Kim Jin Dong Kim Sung-Bae Park Do Sung Huh
Yong Key Shim Sang Joon Choe
Vol. 29, No. 6, pp. 1141-1148, Jun. 2008
10.5012/bkcs.2008.29.6.1141
Yong Key Shim Sang Joon Choe
Vol. 29, No. 6, pp. 1141-1148, Jun. 2008
10.5012/bkcs.2008.29.6.1141
DFT Studies of Band Gaps of the Fused Thiophene Oligomers
Choon Sup Ra Sanggyu Yim Gyoosoon Park
Vol. 29, No. 4, pp. 891-0, Apr. 2008
10.5012/bkcs.2008.29.4.891
Vol. 29, No. 4, pp. 891-0, Apr. 2008
10.5012/bkcs.2008.29.4.891
DFT Study for Azobenzene Crown Ether p-tert-Butylcalix[4]arene Complexed with Alkali Metal Ion
Density Functional Theoretical Study on the Proton Migration in Radical Cations of Substituted Cytosine:Guanine Pair
Sungu Hwang Yun Hee Jang Hyun Cho Yong-Jae Lee
Vol. 29, No. 3, pp. 539-540, Mar. 2008
10.5012/bkcs.2008.29.3.539
Vol. 29, No. 3, pp. 539-540, Mar. 2008
10.5012/bkcs.2008.29.3.539
ISSN(Print) 0253-2964
ISSN(Online) 1229-5949
