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JKCS

Journal of the Korean Chemical Society
Bimonthly Online Journal (eISSN: 2234-8530)

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Search : "[ keyword: DFT ]" (43)
Theoretical Study for the Structures and Binding Energies of HOOO-(H2O)n (n=1~5) Cluster
Jong Min Kim  Sung Yoon Hong  Seung Joon Kim
Vol. 59, No. 5, pp. 387-396, Oct. 2015
10.5012/jkcs.2015.59.5.387
    HOOO(H2O)n 클러스터 밀도 범함수 이론 수소결합 HOOO(H2O)n cluster DFT H-bond interaction
Theoretical Study on the Hydrogen-Bonding Effect of H2On-H2Om (n=1-4, m=1-4) Dimers
Hui Seong Song  Hyun Il Seo  Chang Ho Shin  Seung Joon Kim
Vol. 59, No. 2, pp. 117-124, Apr. 2015
10.5012/jkcs.2015.59.2.117
    이중합체 H2On-H2Om 클러스터 밀도 범함수 이론 수소결합 Dimer H2On-H2Om Cluster DFT H-bond interaction
Quantum Mechanical Investigations for the Interactions between Fullerene and Encapsulated Waters
Sung Hyun Kim  Chang Ho Shin  Ji Sun Kim  So Yung Kang  Seung Joon Kim

Vol. 59, No. 1, pp. 9-17, Feb. 2015
10.5012/jkcs.2015.59.1.9
    풀러렌 (H2O)n@C60 클러스터 밀도 범함수 이론 수소결합 Fullerene (H2O)n@C60 cluster DFT H-bond interaction
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ISSN(Print) 1017-2548
ISSN(Online) 2234-8530



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