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Search : "[ keyword: Density functional theory ]" (19)
Monte Carlo Simulations and Density Functional Theory Calculations of the Structural and Electronic Properties of Anionic SinCn Clusters with n = 1-6
Monte Carlo Simulations and DFT Studies of the Structural Properties of Silicon Oxide Clusters Reacting with a Water Molecule
Assessing Density Functional Theories to Compute the OH Stretching Frequencies of Water Molecules in Condensed Phases
ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters
Synthesis, Characterization and Determination of HOMO-LUMO of the Substituted 1,3,5-Triazine Molecule for the Applications of Organic Electronics
Rajeesh Pakkath Koti Reddy Eeda Sheena Kuriakose Saritha C Ayyiliath M Sajith
Ranjith Pakkath Karuvalam Karickal Raman Haridas
Vol. 63, No. 5, pp. 352-359, Oct. 2019
10.5012/jkcs.2019.63.5.352
Ranjith Pakkath Karuvalam Karickal Raman Haridas
Vol. 63, No. 5, pp. 352-359, Oct. 2019
10.5012/jkcs.2019.63.5.352
Understanding DFT Calculations of Weak Interactions: Density-Corrected Density Functional Theory
Crystal Form of Olmutinib
A DFT Study on Alkali and Alkaline Earth Metal Encapsulated Fullerene-Like BeO Cluster
Theoretical Studies of the Structures and Electronic Properties of CumSiOm+1 Clusters (m = 0 - 7)
Ho Hyun Na Seong Hyun Nam Gi Yun Lee Ye Seul Jang Duck Young Yoon
Gyun Tack Bae
Vol. 60, No. 4, pp. 239-244, Aug. 2016
10.5012/jkcs.2016.60.4.239
Gyun Tack Bae
Vol. 60, No. 4, pp. 239-244, Aug. 2016
10.5012/jkcs.2016.60.4.239
Theoretical Studies of the Structures and Electronic Properties of CumSiOm+1 Clusters (m = 0 - 7)
Ho Hyun Na Seong Hyun Nam Gi Yun Lee Ye Seul Jang Duck Young Yoon
Gyun Tack Bae
Vol. 60, No. 4, pp. 239-244, Aug. 2016
10.5012/jkcs.2016.60.4.239
Gyun Tack Bae
Vol. 60, No. 4, pp. 239-244, Aug. 2016
10.5012/jkcs.2016.60.4.239
ISSN(Print) 1017-2548
ISSN(Online) 2234-8530
