Infrared Spectroscopic and Density Functional Theory Studies on the Reactions of Yttrium and Lanthanum Atoms with Nitrous Oxide in Excess Argon

2008 ◽  
Vol 112 (28) ◽  
pp. 6289-6294 ◽  
Author(s):  
Ling Jiang ◽  
Qiang Xu
Keyword(s):  
Density Functional Theory ◽  
Nitrous Oxide ◽  
Density Functional ◽  
Functional Theory ◽  
Excess Argon ◽  
Infrared Spectroscopic

Dehydrogenation of ethanol to acetaldehyde with nitrous oxide over the metal–organic framework NU-1000: a density functional theory study

2020 ◽  
Vol 22 (24) ◽  
pp. 13622-13628 ◽  
Author(s):  
Veerachart Paluka ◽  
Thana Maihom ◽  
Michael Probst ◽  
Jumras Limtrakul
Keyword(s):  
Density Functional Theory ◽  
Nitrous Oxide ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Metal Organic ◽  
Dehydrogenation Of Ethanol ◽  
Organic Framework

Dehydrogenation of ethanol to acetaldehyde with nitrous oxide (N2O) on Fe-supported MOF NU-1000 investigated by means of density functional calculations.

scholarly journals Structural isomers and low-lying electronic states of gas-phase M+(N2O)n (M = Co, Rh, Ir) ion–molecule complexes

2019 ◽  
Vol 21 (26) ◽  
pp. 13959-13967 ◽  
Author(s):  
Ethan M. Cunningham ◽  
Alexander S. Gentleman ◽  
Peter W. Beardsmore ◽  
Stuart R. Mackenzie
Keyword(s):  
Density Functional Theory ◽  
Nitrous Oxide ◽  
Gas Phase ◽  
Density Functional ◽  
Electronic States ◽  
Structural Isomers ◽  
Functional Theory ◽  
Phase Group ◽  
Ion Molecule Complexes ◽  
Metal Ligand

The structures of gas-phase group nine cation–nitrous oxide metal–ligand complexes, M+(N2O)n (M = Co, Rh, Ir; n = 2–7) have been determined by a combination of infrared photodissociation spectroscopy and density functional theory.

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