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Synthesis, crystal structure, redox property and theoretical studies of a pyrrole containing cobalt(III) Schiff base compoundPanja, Anangamohan; Mandal, Tarun KantiIJC-A Vol.55A(02) [February 2016]137-144
DFT studies of intramolecular double proton transfer of 3,6-dihydro-3,6-diimino(siliane or pyridine)-2,5-diamineTahermansouri, Hasan; Farhan, LidaIJC-A Vol.55A(05) [May 2016]529-536
Trans-dichlorobis(N-p-tolylpyridin-2-amine)palladium(II): Synthesis, structure, fluorescence features and DNA bindingKundu, Suman; Maity, Suvendu; Bhadra, Ranjan; Ghosh, PrasantaIJC-A Vol.50A(09-10) [September-October 2011]1443-1449
Study of the glycine amide and water dimer using density functional theoryGuo, YongfengIJC-A Vol.50A(07) [July 2011]959-969
Density functional theory calculations on biological S-transfer: Insight into the mechanism of rhodaneseDey, Subal; Dey, AbhishekIJC-A Vol.50A(09-10) [September-October 2011]1457-1462
Density functional theory calculations on Fe2S2 clusters: Effect of ligand environment on geometric/electronic structure and reduction potentialDey, AbhishekIJC-A Vol.50A(03-04) [March-April 2011]498-502
Density functional theory study on the interaction between guanine-cytosine base pair and formamideQin, Mei; Zhao, Gang; Du, Dong-mei; Ma, Ke-sheng; Zhou, Zheng-yuIJC-A Vol.49A(10) [October 2010]1332-1338
Hydrosulfido molybdenum(V) complexes in relevance to xanthine oxidaseMitra, Joyee; Sarkar, SabyasachiIJC-A Vol.50A(03-04) [March-April 2011]401-408
Density functional theory study of oxygen clathrate hydratesRamya, K R; Venkatnathan, ArunIJC-A Vol.52A(08) [August 2013]1061-1065
Density functional theory and reduced density gradient investigations into HCN adsorption on the Co(100) and Co(110) surfacesZhao, Ying-Hu; Wang, Ying-Yong; Gao, Li; Song, HuiIJC-A Vol.54A(04) [April 2015]459-468