Conversion of Dinitrogen and Oxygen to Nitric Oxide Mediated by Triatomic Yttrium Cations: Reversible N-N Bond Switching.
Sign Up to like & getrecommendations! Published in 2023 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.3c00092
Abstract: The direct coupling of dinitrogen (N2) and oxygen (O2) to produce value-added chemicals such as nitric acid (HNO3) at room temperature is fascinating but quite challenging because of the inertness of N2 molecules. Herein, an… read more here.
Keywords: reversible bond; bond switching; dinitrogen oxygen; bond ... See more keywords
Application of Empirical Si–O–C Potential to Simulate Amorphous Atomic Structures and Transition Layers by the Bond Switching Method
Sign Up to like & getrecommendations! Published in 2019 at "Crystallography Reports"
DOI: 10.1134/s1063774519040059
Abstract: The parameters of REBO2 empirical potential for the Si–O–C system are presented. The results of the calculations using this potential agree well with the experimental values of the lengths and angles of unit cells, bond… read more here.
Keywords: empirical potential; application empirical; potential simulate; bond switching ... See more keywords