검색결과 : 2건
No. | Article |
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1 |
DFT-B3LYP, NPA-, and QTAIM-Based Study of the Physical Properties of [M(II)(H2O)(2)(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) Complexes Varadwaj PR, Varadwaj A, Marques HM Journal of Physical Chemistry A, 115(22), 5592, 2011 |
2 |
Conformational Analysis of 18-Azacrown-6 and Its Bonding with Late First Transition Series Divalent Metals: Insight from DFT Combined with NPA and QTAIM Analyses Varadwaj PR, Varadwaj A, Peslherbe GH, Marques HM Journal of Physical Chemistry A, 115(45), 13180, 2011 |