화학공학소재연구정보센터
검색결과 : 2건
No. Article
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