© 2015 The Royal Society of Chemistry. For homoleptic 18-electron complex hydrides, an inverse linear correlation has been established between the T-deuterium bond length (T = Fe, Co, Ni) and the average electronegativity of the metal countercations. This relationship can be further employed towards aiding structural solutions and predicting physical properties of novel complex transition metal hydrides
A set of 41 metal−ligand bond distances in 25 third-row transition-metal complexes, for which precis...
A set of 41 metal-ligand bond distances in 25 third-row transition-metal complexes, for which precis...
Hydride 1H T1 values are reported for a selected series of ruthenium, iridium and platinum complexes...
A range of modern density functional theory (DFT) functionals have been benchmarked against experime...
This an accepted manuscript published by the American Chemical SocietyThe wavenumbers of 774 termina...
Despite the recent advances in understanding bonds between transition metals (TM) and non-metal, the...
The wavenumbers of 774 terminal hydride infrared active stretching modes of 478 distinct classes of ...
Problems that can arise during the cycling steps for a hydride storage system usually involve events...
In this work, we provide a nuanced view of electron correlation in the context of transition metal c...
This is an accepted manuscript with supporting informationUnderstanding the thermodynamics of parama...
The electric field gradient at the hydrogen atom site has been calculated in three model systems: M-...
Analysis of the DFT calculated electron density distributions of the first-row transition metal (TM)...
Metal hydride complexes are essential intermediates in hydrogenation reactions. The hydride-donor ab...
Formation and breaking of metal–hydrogen bonds are central to many important catalytic processes suc...
Coupled cluster and configuration interaction diagnostics have been examined in order to assess the ...
A set of 41 metal−ligand bond distances in 25 third-row transition-metal complexes, for which precis...
A set of 41 metal-ligand bond distances in 25 third-row transition-metal complexes, for which precis...
Hydride 1H T1 values are reported for a selected series of ruthenium, iridium and platinum complexes...
A range of modern density functional theory (DFT) functionals have been benchmarked against experime...
This an accepted manuscript published by the American Chemical SocietyThe wavenumbers of 774 termina...
Despite the recent advances in understanding bonds between transition metals (TM) and non-metal, the...
The wavenumbers of 774 terminal hydride infrared active stretching modes of 478 distinct classes of ...
Problems that can arise during the cycling steps for a hydride storage system usually involve events...
In this work, we provide a nuanced view of electron correlation in the context of transition metal c...
This is an accepted manuscript with supporting informationUnderstanding the thermodynamics of parama...
The electric field gradient at the hydrogen atom site has been calculated in three model systems: M-...
Analysis of the DFT calculated electron density distributions of the first-row transition metal (TM)...
Metal hydride complexes are essential intermediates in hydrogenation reactions. The hydride-donor ab...
Formation and breaking of metal–hydrogen bonds are central to many important catalytic processes suc...
Coupled cluster and configuration interaction diagnostics have been examined in order to assess the ...
A set of 41 metal−ligand bond distances in 25 third-row transition-metal complexes, for which precis...
A set of 41 metal-ligand bond distances in 25 third-row transition-metal complexes, for which precis...
Hydride 1H T1 values are reported for a selected series of ruthenium, iridium and platinum complexes...