共 50 条
- [46] Predictability for Polymeric Structure Deviations, Transition Temperature, and Transition Patterns in 1,2,4 H-Triazole Iron(II) Complexes Using Density Functional Theory Method Russian Journal of Inorganic Chemistry, 2022, 67 : S150 - S157
- [49] Prediction of electron paramagnetic resonance g-tensors of transition metal complexes using density functional theory:: First applications to some axial d1MEX4 systems JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (13): : 5730 - 5740
- [50] Calculated NMR parameters (chemical shifts and coupling constants) of cyclic C4H2 and C4H3 molecules containing carbene centers, and of some of their boron analoga, using density functional theory (DFT) ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2004, 59 (01): : 37 - 43