Ab-initio study of transition metal hydrides

2014 ◽  
Author(s):  
Ramesh Sharma ◽  
Seema Shukla ◽  
Shalini Dwivedi ◽  
Yamini Sharma
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Metal Hydrides ◽  
Ab Initio Study ◽  
Transition Metal Hydrides

Ab Initio Calculations of pKaValues of Transition-Metal Hydrides in Acetonitrile

2006 ◽  
Vol 25 (25) ◽  
pp. 5879-5886 ◽  
Author(s):  
Xiu-Juan Qi ◽  
Lei Liu ◽  
Yao Fu ◽  
Qing-Xiang Guo
Keyword(s):  
Transition Metal ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Metal Hydrides ◽  
Transition Metal Hydrides

Ab Initio Calculations of Thermodynamic Hydricities of Transition-Metal Hydrides in Acetonitrile

2007 ◽  
Vol 26 (17) ◽  
pp. 4197-4203 ◽  
Author(s):  
Xiu-Juan Qi ◽  
Yao Fu ◽  
Lei Liu ◽  
Qing-Xiang Guo
Keyword(s):  
Transition Metal ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Metal Hydrides ◽  
Transition Metal Hydrides

scholarly journals Complex transition metal hydrides: linear correlation of countercation electronegativity versus T–D bond lengths

2015 ◽  
Vol 51 (56) ◽  
pp. 11248-11251 ◽  
Author(s):  
T. D. Humphries ◽  
D. A. Sheppard ◽  
C. E. Buckley
Keyword(s):  
Transition Metal ◽  
Bond Length ◽  
Linear Correlation ◽  
Metal Hydrides ◽  
Bond Lengths ◽  
Transition Metal Hydrides ◽  
Complex Hydrides

For homoleptic 18-electron complex hydrides, an inverse linear correlation has been established between the T–deuterium bond length and the average electronegativity of the metal countercations.

Kinetic hydricity of transition-metal hydrides toward trityl cation

1995 ◽  
Vol 14 (9) ◽  
pp. 4031-4033 ◽  
Author(s):  
Tan-Yun Cheng ◽  
R. Morris Bullock
Keyword(s):  
Transition Metal ◽  
Metal Hydrides ◽  
Transition Metal Hydrides ◽  
Trityl Cation

Positive ions of the first‐ and second‐row transition metal hydrides

1987 ◽  
Vol 87 (1) ◽  
pp. 481-492 ◽  
Author(s):  
Lars G. M. Pettersson ◽  
Charles W. Bauschlicher ◽  
Stephen R. Langhoff ◽  
Harry Partridge
Keyword(s):  
Transition Metal ◽  
Metal Hydrides ◽  
Transition Metal Hydrides ◽  
Positive Ions
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