Add to ORKGSynthesisro utesto rutile-type oxides with 4d and 5d transition elements are summarized. Trends in electronic structure have been established through an analysis in the framework of density functional theory presenting the band structure, the density of states and the properties of chemical bonding..
<div><p>We report a theoretical study of a series of Ru complexes of interest in dye-sensitised sola...
Metal tetraoxygen molecules (MO<sub>4</sub>, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with e...
The chemistry of post transition metals is dominated by the group oxidation state N and a lower N-2 ...
THESIS 9877Rutile-type transition-metal compounds are a continually rewarding area of research, of b...
The electronic band structure and chemical bonding properties of rutile type PdO2 are calculated in ...
First principle calculations using density functional theory (DFT) and full-potential linearized aug...
This thesis focuses on the nature of metal-metal bonding in poly-metallic systems. The electronic s...
THESIS 9519Rutile-type transition-metal oxides are extremely fertile areas of study both for fundame...
We present electronic and structural parameters for bulk rutile (TiO2) determined by means of dif...
Density functional theory (DFT) calculations were performed to address the effects of 5d transition ...
We use density functional theory +U to investigate the chemical bonding characters and vibrational p...
Transition metal oxides form a large class of compounds that exhibit a very rich and diverse physics...
The atomic and electronic structures of two phases of titanium dioxide, anatase and rutile, have bee...
Transition metal oxide phases have been studied intensively in recent years due to their flexible ch...
This work presents a study of the electronic structure of four transition metal oxides (TMOs) using ...
<div><p>We report a theoretical study of a series of Ru complexes of interest in dye-sensitised sola...
Metal tetraoxygen molecules (MO<sub>4</sub>, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with e...
The chemistry of post transition metals is dominated by the group oxidation state N and a lower N-2 ...
THESIS 9877Rutile-type transition-metal compounds are a continually rewarding area of research, of b...
The electronic band structure and chemical bonding properties of rutile type PdO2 are calculated in ...
First principle calculations using density functional theory (DFT) and full-potential linearized aug...
This thesis focuses on the nature of metal-metal bonding in poly-metallic systems. The electronic s...
THESIS 9519Rutile-type transition-metal oxides are extremely fertile areas of study both for fundame...
We present electronic and structural parameters for bulk rutile (TiO2) determined by means of dif...
Density functional theory (DFT) calculations were performed to address the effects of 5d transition ...
We use density functional theory +U to investigate the chemical bonding characters and vibrational p...
Transition metal oxides form a large class of compounds that exhibit a very rich and diverse physics...
The atomic and electronic structures of two phases of titanium dioxide, anatase and rutile, have bee...
Transition metal oxide phases have been studied intensively in recent years due to their flexible ch...
This work presents a study of the electronic structure of four transition metal oxides (TMOs) using ...
<div><p>We report a theoretical study of a series of Ru complexes of interest in dye-sensitised sola...
Metal tetraoxygen molecules (MO<sub>4</sub>, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with e...
The chemistry of post transition metals is dominated by the group oxidation state N and a lower N-2 ...