Kinetics and Equilibria of Dioxygen Binding to a Vacant Site in Cobalt(II) Complexes with Pentadentate Ligands

1997 ◽  
Vol 36 (13) ◽  
pp. 2746-2753 ◽  
Author(s):  
Elena V. Rybak-Akimova ◽  
William Otto ◽  
Peter Deardorf ◽  
Rebecca Roesner ◽  
Daryle H. Busch
Keyword(s):  
Vacant Site ◽  
Pentadentate Ligands

scholarly journals H2 Transformations on Graphene Supported Palladium Cluster: DFT-MD Simulations and NEB Calculations

Catalysts ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1306
Author(s):  
Francesco Ferrante ◽  
Antonio Prestianni ◽  
Marco Bertini ◽  
Dario Duca
Keyword(s):  
Atomic Hydrogen ◽  
Density Functional ◽  
Hydrogen Molecule ◽  
Md Simulations ◽  
Vacant Site ◽  
Functional Theory ◽  
H2 Adsorption ◽  
Palladium Cluster ◽  
Supported Palladium ◽  
Dynamics Simulations

Molecular dynamics simulations based on density functional theory were employed to investigate the fate of a hydrogen molecule shot with different kinetic energy toward a hydrogenated palladium cluster anchored on the vacant site of a defective graphene sheet. Hits resulting in H2 adsorption occur until the cluster is fully saturated. The influence of H content over Pd with respect to atomic hydrogen spillover onto graphene was investigated. Calculated energy barriers of ca. 1.6 eV for H-spillover suggest that the investigated Pd/graphene system is a good candidate for hydrogen storage.

Pentadentate Ligands for the 1:1 Coordination of Lanthanide(III) Salts

2007 ◽  
Vol 2007 (20) ◽  
pp. 3276-3287 ◽  
Author(s):  
Markus Albrecht ◽  
Sebastian Mirtschin ◽  
Olga Osetska ◽  
Sabrina Dehn ◽  
Dieter Enders ◽  
...  
Keyword(s):  
Pentadentate Ligands

A Study on a Role of SFHOUKOU-KAIGIJO for Practical Use of Vacant Site and Empty shops

2009 ◽  
Vol 44.3 (0) ◽  
pp. 181-186
Author(s):  
Chileka Ono ◽  
Haruhiko Goto ◽  
Tosihiko Yusa ◽  
Yoshito Yamazaki
Keyword(s):  
Vacant Site

Structural, Spectroscopic, and Electrochemical Studies of Binuclear Manganese(II) Complexes of Bis(pentadentate) Ligands Derived from Bis(1,4,7-triazacyclononane) Macrocycles

2000 ◽  
Vol 39 (5) ◽  
pp. 881-892 ◽  
Author(s):  
Suzanne J. Brudenell ◽  
Leone Spiccia ◽  
Alan M. Bond ◽  
Gary D. Fallon ◽  
David C. R. Hockless ◽  
...  
Keyword(s):  
Electrochemical Studies ◽  
Pentadentate Ligands
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