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A density functional theory study on the interaction of hydrogen molecules with aromatic linkers in metal-organic frameworks

Kim, Daejin; Jung, Dong Hyun; Choi, Sang Beom; Yoon, Ji Hye; Kim, Jaheon; Choi, Kihang; Choi, Seung-Hoon

ArticleIssue Date2008CitationJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, v.69, no.5-6, pp.1428 - 1431PublisherPERGAMON-ELSEVIER SCIENCE LTD
Analyses of adsorption capacity of hydrogen in MOFs using grand canonical Monte Carlo simulations

Jung, Dong Hyun; Kim, Daejin; Lee, Tae Bum; Kim, Jaheon; Choi, Seung-Hoon

ArticleIssue Date2006CitationABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.232, pp.359 - 359PublisherAMER CHEMICAL SOC
COMP 150-Density functional theory calculations on Ti and Li decoration in MOF-5

Jung, Dong Hyun; Kim, Daejin; Kim, Jaheon; Choi, Seung-Hoon

ArticleIssue Date2008CitationABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.235PublisherAMER CHEMICAL SOC
COMP 325-Theoretical studies on pillared covalent organic frameworks for the hydrogen storage material

Kim, Daejin; Jung, Dong Hyun; Choi, Seung-Hoon; Choi, Sang Beom; Yoon, Jihye; Jhon, Young Ho; Kim, Jaheon

ArticleIssue Date2007CitationABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.234PublisherAMER CHEMICAL SOC
Crystal structure and guest uptake of a mesoporous metal-organic framework containing cages of 3.9 and 4.7 nm in diameter

Park, Young Kwan; Choi, Sang Beom; Kim, Hyunuk; Kim, Kimoon; Won, Byoung-Ho; Choi, Kihang; Choi, Jung-Sik; Ahn, Wha-Seung; Won, Nayoun; Kim, Sungjee, et al.

ArticleIssue Date2007CitationANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.46, no.43, pp.8230 - 8233PublisherWILEY-V C H VERLAG GMBH
Density functional study on metal decoration onto a metal-organic framework

Jung, Dong Hyun; Kim, Daejin; Choi, Seung-Hoon; Kim, Jaheon; Choi, Kihang

ArticleIssue Date2008CitationJOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.52, no.4, pp.1221 - 1226PublisherKOREAN PHYSICAL SOC
DFT calculations on the stability of 2D covalent organic frameworks

Kim, Daejin; Jung, Dong Hyun; Kim, Kyung-Hyun; Lee, Areum; Kim, Jaheon; Choi, Kihang; Choi, Seung-Hoon

ArticleIssue Date2009CitationABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.238PublisherAMER CHEMICAL SOC
Grand canonical Monte Carlo simulation study on the catenation effect on hydrogen adsorption onto the interpenetrating metal-organic frameworks

Jung, Dong Hyun; Kim, Daejin; Lee, Tae Bum; Choi, Sang Beom; Yoon, Ji Hye; Kim, Jaheon; Choi, Kihang; Choi, Seung-Hoon

ArticleIssue Date2006CitationJOURNAL OF PHYSICAL CHEMISTRY B, v.110, no.46, pp.22987 - 22990PublisherAMER CHEMICAL SOC
Modeling of pillared covalent organic frameworks as the hydrogen storage material

Kim, Daejin; Jung, Dong Hyun; Kim, Kyung-Hyun; Lee, Areum; Kim, Jaheon; Choi, Kihang; Choi, Seung-Hoon

ArticleIssue Date2009CitationABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.238PublisherAMER CHEMICAL SOC
Molecular dynamics simulation on hydrogen adsorption into catenated metal organic frameworks

Lee, Tae Bum; Jung, Dong Hyun; Kim, Daejin; Kim, Jaheon; Choi, Seung-Hoon

ArticleIssue Date2006CitationABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.232, pp.363 - 363PublisherAMER CHEMICAL SOC
Molecular dynamics simulation study on the hydrogen adsorption and diffusion in non-interpenetrating and interpenetrating IRMOFs

Lee, Tae Bum; Jung, Dong Hyun; Kim, Daejin; Kim, Jaheon; Choi, Kihang; Choi, Seung-Hoon

ArticleIssue Date2009CitationCATALYSIS TODAY, v.146, no.1-2, pp.216 - 222PublisherELSEVIER SCIENCE BV
Quantitative structure-uptake relationship of metal-organic frameworks as hydrogen storage material

Kim, Daejin; Kim, Junhyoung; Jung, Dong Hyun; Lee, Tae Bum; Choi, Sang Beom; Yoon, Ji Hye; Kim, Jaheon; Choi, Kihang; Choi, Seung-Hoon

ArticleIssue Date2007CitationCATALYSIS TODAY, v.120, no.3-4, pp.317 - 323PublisherELSEVIER SCIENCE BV
Theoretical studies on pillared covalent organic frameworks for a hydrogen storage material

Kim, Daejin; Jung, Dong Hyun; Choi, Seung-Hoon; Kim, Jaheon; Choi, Kihang

ArticleIssue Date2008CitationJOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.52, no.4, pp.1255 - 1258PublisherKOREAN PHYSICAL SOC
Understanding the mechanism of hydrogen adsorption into metal organic frameworks

Lee, Tae Bum; Kim, Daejin; Jung, Dong Hyun; Choi, Sang Beom; Yoon, Ji Hye; Kim, Jaheon; Choi, Kihang; Choi, Seung-Hoon

ArticleIssue Date2007CitationCATALYSIS TODAY, v.120, no.3-4, pp.330 - 335PublisherELSEVIER SCIENCE BV
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