The 16 valence electronic states of nitric oxide dimer (NO)2

1998 ◽  
Vol 109 (6) ◽  
pp. 2185-2193 ◽  
Author(s):  
Allan L. L. East
Keyword(s):  
Nitric Oxide ◽  
Electronic States ◽  
Nitric Oxide Dimer

A theoretical determination of the dissociation energy of the nitric oxide dimer

1994 ◽  
Vol 88 (6) ◽  
pp. 425-435 ◽  
Author(s):  
Remedios Gonz�lez-Luque ◽  
Manuela Merch�n ◽  
Bj�rn O. Roos
Keyword(s):  
Nitric Oxide ◽  
Dissociation Energy ◽  
Theoretical Determination ◽  
Nitric Oxide Dimer

Vibrational predissociation dynamics of the nitric oxide dimer

2018 ◽  
Vol 72 (7) ◽  
Author(s):  
Olivia Borrell-Grueiro ◽  
Ubaldo Baños-Rodríguez ◽  
Maykel Márquez-Mijares ◽  
Jesús Rubayo-Soneira
Keyword(s):  
Nitric Oxide ◽  
Vibrational Predissociation ◽  
Nitric Oxide Dimer

The Nitric Oxide Dimer Reaction in Carbon Nanopores

2017 ◽  
Vol 122 (13) ◽  
pp. 3604-3614 ◽  
Author(s):  
Deepti Srivastava ◽  
C. Heath Turner ◽  
Erik E. Santiso ◽  
Keith E. Gubbins
Keyword(s):  
Nitric Oxide ◽  
Nitric Oxide Dimer

Interaction of Nitric Oxide and Nitric Oxide Dimer with Silver Clusters

2005 ◽  
Vol 1 (4) ◽  
pp. 253-258 ◽  
Author(s):  
V.E. Matulis ◽  
O.A. Ivashkevich ◽  
V.S. Gurin
Keyword(s):  
Nitric Oxide ◽  
Density Functional Theory ◽  
Cluster Model ◽  
Density Functional ◽  
Bond Formation ◽  
Silver Cluster ◽  
Silver Clusters ◽  
Functional Theory ◽  
Nitric Oxide Dimer

Study of interaction of NO and (NO)2 molecules with silver clusters has been carried out using the hybrid method S2LYP based on density functional theory (DFT). The role of cluster charge and site of adsorption on N–O stretch frequency, adsorption energy and geometry has been investigated. Four cluster models of different size have been used for simulation of (NO)2 adsorption on Ag{111} surface. The pronounced effect of N–N bond shortening in comparison with gaseous (NO)2 has been found due to adsorption of (NO)2 on silver cluster. This phenomenon is important as possible pathway of N–N bond formation in catalytic fragmentation of NO molecule. The calculations showed that the silver octamer is the best candidate for simulation of formation and fragmentation of (NO)2 on Ag{111} surface within the cluster model.

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