scholarly journals Spin‐Forbidden Reactivity of Transition Metal Oxo Species: Exploring the Potential Energy Surfaces

2020 ◽  
Vol 26 (14) ◽  
pp. 3080-3089 ◽  
Author(s):  
Damiano Ricciarelli ◽  
Leonardo Belpassi ◽  
Jeremy N. Harvey ◽  
Paola Belanzoni
Keyword(s):  
Transition Metal ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4

2021 ◽  
Vol 540 ◽  
pp. 148223
Author(s):  
Iuliia Melchakova ◽  
Kristina M. Nikolaeva ◽  
Evgenia A. Kovaleva ◽  
Felix N. Tomilin ◽  
Sergey G. Ovchinnikov ◽  
...  
Keyword(s):  
Transition Metal ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
And Migration ◽  
Energy Surfaces

Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity

2016 ◽  
Vol 45 (13) ◽  
pp. 3621-3640 ◽  
Author(s):  
Bin Jiang ◽  
Minghui Yang ◽  
Daiqian Xie ◽  
Hua Guo
Keyword(s):  
Transition Metal ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Quantum Dynamics ◽  
Metal Surfaces ◽  
Dissociative Chemisorption ◽  
Quantum Dynamical ◽  
Transition Metal Surfaces ◽  
Energy Surfaces

Recent advances in quantum dynamical characterization of polyatomic dissociative chemisorption on accurate global potential energy surfaces are critically reviewed.

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