1993年9月1日 · Electronic Structure of Trioxide, Oxoperoxide, Oxosuperoxide, and Ozonide Clusters of the 3d Elements: Density Functional Theory Study. The Journal of Physical Chemistry A 2011, 115 (8) , 1320-1330. https://doi.org/10.1021/jp1097266; Yu Gong and Mingfei Zhou, Lester Andrews.

1984年7月6日 · The electronic structures of the 3d (CrO4−-ZnO4−) and 4d (MoO4−-CdO4−) metal tetraoxianions were calculated using the discrete variational Xα method. The electron affinities (EAs) of the...

2011年4月14日 · The heavier d-block elements Ru, Os, Hs are confirmed to form stable tetraoxides of Td symmetry in (1)A1 electronic states with empty metal d(0) valence shell and closed-shell O(2-) ligands,...

2007年2月22日 · The diatomic molecule vanadium oxide, VO, and its charged species VO+ and VO- were studied by multireference and coupled cluster methods in conjunction with large basis sets. The investigation of 22 states and the construction of 21 full potential energy curves allowed for a detailed understanding of the electronic structure of these species.

The MINDO/3 method was used to calculate the equilibrium three-dimensional structure of the simplest representatives of the series of tetraoxides (TO) — H2O4 and CH3O4H. In the harmonic approximation their force field, and the frequencies and forms of …

2016年4月13日 · The heavier d-block elements Ru, Os, Hs are confirmed to form stable tetraoxides of T d symmetry in 1 A 1 electronic states with empty metal d 0 valence shell and closed-shell O 2– ligands, while the 3d-, 4f-, and 5f-elements Fe, Sm, and Pu prefer partial occupation of their valence shells and peroxide or superoxide ligands at lower symmetry ...

2016年5月2日 · The heavier d-block elements Ru, Os, Hs are confirmed to form stable tetraoxides of Td symmetry in (1)A1 electronic states with empty metal d(0) valence shell and closed-shell O(2-) ligands, while the 3d-, 4f-, and 5f-elements Fe, Sm, and Pu prefer partial occupation of their valence shells and peroxide or superoxide ligands at lower symmetry ...

2017年4月5日 · The bis(tetrazole) ligands in which N-donor rings are separated by alkyl (CH 2) n spacers and N/S atoms are a good choice of flexible bridging ligands, which produce a large variety of possible bonding modes with nine coordination sites of two tetrazolate rings and one N/S donor, and may be good candidates to exhibit new SCFs possessing ...

The X-ray structures revealed the formation of dinuclear complexes in which the ca 2− ligands (R = Cl (L 1 ) and R = CH 3 (L 2 )) bridged two lanthanide ions and the HB( pz) 3 − anions played...

The heavier d-block elements Ru, Os, Hs are confirmed to form stable tetraoxides of Td symmetry in 1A1 electronic states with empty metal d0 valence shell and closed-shell O2– ligands, while the 3d-, 4f-, and 5f-elements Fe, Sm, and Pu prefer partial occupation of …