The electronic structures of $MO_4^n^-$, non existent compounds, where M indicates a 3d transition element, are studied on the basis of molecular orbital theory according to zero differential overlap scheme. A comparison of such results with those of the correspondent existent tetroxoanions furnishes some evidences, about the instability of the studied anions, in the electronic distribution features. Among them, the negative charge of the oxygen atoms increases on increasing the negative charge of the anion and suggests that this is the predominant factor affecting the stability
Using the orbital-free quantum crystallography approach, we have disclosed the quantitative trends i...
The method of gradient invariant atomic orbitals with expansion by Gaussian functions has been used ...
Dedicated to Edgar Heilbronner on the occasion of his 80th birthday The electronic structure of spir...
Author Institution: Dept. of Chemistry, Indiana University, Bloomington, Indiana, 47405Vibrationally...
Vita.Previous interpretation of the EPR spectra of the dl pseudo- D4h NbCI4(PR3)2 complexes assumed ...
cited By 12International audienceThe vibrational behavior of a series of tetrahedral d0 oxo-compound...
Ab initio molecular orbital calculations of electron distribution in tetramethylammoniurn ion and it...
The electronic structures of tetrahedral complexes $VCl4_$, $MdCl_4^2^-$, $FeCl_4^2^-$-, $CoCl_4^2^-...
During the last decade, the concern of theoretical chemists has rested largely with approximate calc...
Abstract: In this paper I discuss the electronic structure and properties of a specific, rather unco...
Metal tetraoxygen molecules (MO<sub>4</sub>, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with e...
Advancing theories of how metal oxygen bonding influences metal oxo properties can expose new avenue...
Using density functional theory with generalized gradient approximation, we have performed a systema...
Author Institution: Optical Technology Division, National Institute of Standards and Technology, Gai...
A localized INDO method was used to calculate the electronic structures of a series of complex anion...
Using the orbital-free quantum crystallography approach, we have disclosed the quantitative trends i...
The method of gradient invariant atomic orbitals with expansion by Gaussian functions has been used ...
Dedicated to Edgar Heilbronner on the occasion of his 80th birthday The electronic structure of spir...
Author Institution: Dept. of Chemistry, Indiana University, Bloomington, Indiana, 47405Vibrationally...
Vita.Previous interpretation of the EPR spectra of the dl pseudo- D4h NbCI4(PR3)2 complexes assumed ...
cited By 12International audienceThe vibrational behavior of a series of tetrahedral d0 oxo-compound...
Ab initio molecular orbital calculations of electron distribution in tetramethylammoniurn ion and it...
The electronic structures of tetrahedral complexes $VCl4_$, $MdCl_4^2^-$, $FeCl_4^2^-$-, $CoCl_4^2^-...
During the last decade, the concern of theoretical chemists has rested largely with approximate calc...
Abstract: In this paper I discuss the electronic structure and properties of a specific, rather unco...
Metal tetraoxygen molecules (MO<sub>4</sub>, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with e...
Advancing theories of how metal oxygen bonding influences metal oxo properties can expose new avenue...
Using density functional theory with generalized gradient approximation, we have performed a systema...
Author Institution: Optical Technology Division, National Institute of Standards and Technology, Gai...
A localized INDO method was used to calculate the electronic structures of a series of complex anion...
Using the orbital-free quantum crystallography approach, we have disclosed the quantitative trends i...
The method of gradient invariant atomic orbitals with expansion by Gaussian functions has been used ...
Dedicated to Edgar Heilbronner on the occasion of his 80th birthday The electronic structure of spir...