Computational investigation of defect segregation at the (001) surface of BaCeO3 and BaZrO3: the role of metal–oxygen bond strength in controlling vacancy segregation

2013 ◽  
Vol 1 (8) ◽  
pp. 2840 ◽  
Author(s):  
Tania Tauer ◽  
Ryan O'Hayre ◽  
J. Will Medlin
Keyword(s):  
Bond Strength ◽  
Computational Investigation ◽  
Oxygen Bond

scholarly journals Importance of the oxygen bond strength for catalytic activity in soot oxidation

2016 ◽  
Vol 188 ◽  
pp. 235-244 ◽  
Author(s):  
Jakob M. Christensen ◽  
Jan-Dierk Grunwaldt ◽  
Anker D. Jensen
Keyword(s):  
Catalytic Activity ◽  
Bond Strength ◽  
Soot Oxidation ◽  
Oxygen Bond

Role of Metal–Ligand Bond Strength and Phase Separation on the Mechanical Properties of Metallopolymer Films

2013 ◽  
Vol 46 (14) ◽  
pp. 5416-5422 ◽  
Author(s):  
Aaron C. Jackson ◽  
Frederick L. Beyer ◽  
Samuel C. Price ◽  
B. Christopher Rinderspacher ◽  
Robert H. Lambeth
Keyword(s):  
Mechanical Properties ◽  
Phase Separation ◽  
Bond Strength ◽  
Metal Ligand ◽  
Ligand Bond

Role of C−H Bond Strength in the Rate and Selectivity of Oxidative Dehydrogenation of Alkanes

2009 ◽  
Vol 113 (28) ◽  
pp. 12380-12386 ◽  
Author(s):  
Michael Zboray ◽  
Alexis T. Bell ◽  
Enrique Iglesia
Keyword(s):  
Bond Strength ◽  
Oxidative Dehydrogenation

The Reaction Pathway of Cellulose Pyrolysis to a Multifunctional Chiral Building Block: The Role of Water Unveiled by a DFT Computational Investigation

ChemPhysChem ◽  
2016 ◽  
Vol 17 (23) ◽  
pp. 3948-3953 ◽  
Author(s):  
Tainah Dorina Marforio ◽  
Andrea Bottoni ◽  
Matteo Calvaresi ◽  
Daniele Fabbri ◽  
Pietro Giacinto ◽  
...  
Keyword(s):  
Building Block ◽  
Reaction Pathway ◽  
Computational Investigation ◽  
Cellulose Pyrolysis ◽  
Chiral Building Block

Carbon−Oxygen Bond Strength in Diphenyl Ether and Phenyl Vinyl Ether:  An Experimental and Computational Study

1997 ◽  
Vol 101 (30) ◽  
pp. 5404-5411 ◽  
Author(s):  
Wibo van Scheppingen ◽  
Edwin Dorrestijn ◽  
Isabel Arends ◽  
Peter Mulder ◽  
Hans-Gert Korth
Keyword(s):  
Bond Strength ◽  
Vinyl Ether ◽  
Computational Study ◽  
Diphenyl Ether ◽  
Oxygen Bond ◽  
Phenyl Vinyl
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