| 1 |
Comprehensive study of density functional theory based properties for group 14 atoms and functional groups, -XY3 (X = C, Si, Ge, Sn, Pb, element 114; Y=CH3, H, F, Cl, Br, I, At)
Giju KT, De Proft F, Geerlings P
Journal of Physical Chemistry A, 109(12), 2925, 2005 |
| 2 |
The micro-solvation of Na+: theoretical study of bonding characteristics in weakly bonded ArnNa+ (n=1-8) clusters
Giju KT, Roszak S, Gora RW, Leszczynski J
Chemical Physics Letters, 391(1-3), 112, 2004 |
| 3 |
The Li+ cation - The descendant of H+ or an ancestor of Na+? The properties of Li+Arn (n=1-6) clusters
Szymczak JJ, Giju KT, Roszak S, Leszczynski J
Journal of Physical Chemistry A, 108(31), 6570, 2004 |
| 4 |
A theoretical study of protonated argon clusters: ArnH+ (n=1-7)
Giju KT, Roszak S, Leszczynski J
Journal of Chemical Physics, 117(10), 4803, 2002 |
| 5 |
Structure and bonding of transition metal-boryl compounds. Theoretical study of [(PH3)(2)(CO)ClOs-BR2] and [(PH3)(2)(CO)(2)ClOs-BR2] (BR2 = BH2, BF2, B(OH)(2), B(OCH=CHO), Bcat)
Giju KT, Bickelhaupt FM, Frenking G
Inorganic Chemistry, 39(21), 4776, 2000 |
| 6 |
Novel mechanism for interesting C-C coupling and cleavage reactions and control of thermodynamic stability involving [L2M(mu-CCR)(2)ML2] and [L2M(mu-RCC-CCR)ML2] complexes (M=Ti, Zr, L=eta(5)-C5H5, Cl, H, R=H, F, CN) : A theoretical study
Jemmis ED, Giju KT
Journal of the American Chemical Society, 120(28), 6952, 1998 |
| 7 |
Tautomeric rearrangements in mono- and dichalcogenide analogs of formic acid, HC(X)YH (X, Y = O,S,Se,Te): A theoretical study
Jemmis ED, Giju KT, Leszczynski J
Journal of Physical Chemistry A, 101(40), 7389, 1997 |
