Quadratic Jahn-Teller effect of fullerene anions
The quadratic Jahn-Teller effect of C 60 n−(n= 1–5) is investigated from the first principles.
Employing the density functional theory calculations with hybrid functional, the quadratic …
Employing the density functional theory calculations with hybrid functional, the quadratic …
Jahn–Teller effects and surface interactions in multiply-charged fullerene anions and the effect on scanning tunneling microscopy images
JL Dunn, HS Alqannas, AJ Lakin - Chemical Physics, 2015 - Elsevier
We investigate the combined effects of Jahn–Teller (JT) coupling and interactions with a
surface substrate on fullerene anions C 60 2-to C 60 4-. JT coupling alone causes the C 60 …
surface substrate on fullerene anions C 60 2-to C 60 4-. JT coupling alone causes the C 60 …
Dynamical Jahn‐Teller effect in the first excited
Jahn‐Teller effect of C60 monoanion in the first electronically excited states was
theoretically investigated. The orbital vibronic coupling parameters for t 1 g next lowest …
theoretically investigated. The orbital vibronic coupling parameters for t 1 g next lowest …
[PDF][PDF] Dynamical Jahn-Teller effect in the first excited C
Z Huang, D Liu - International Journal Of Quantum Chemistry, 2020 - lirias.kuleuven.be
Highly symmetric C60 [1] exhibits complex Jahn-Teller (JT) dynamics characterized by
orbital-vibration entanglement in various charged and excited states [2, 3, 4]. Negatively …
orbital-vibration entanglement in various charged and excited states [2, 3, 4]. Negatively …
[PDF][PDF] AB INITIO INVESTIGATION OF VIBRONIC COUPLING AND RELAXATION IN MAGNETIC MOLECULES
D Liu - 2018 - lirias.kuleuven.be
Moleculaire magneten hebben grote aandacht getrokken omdat zij vele uitstekende
magnetische eigenschappen vertonen die bruikbaar zijn voor technologische toepassing …
magnetische eigenschappen vertonen die bruikbaar zijn voor technologische toepassing …
Spin Electron Dipolar and Contact Interactions
G Likhtenshtein, G Likhtenshtein - Electron Spin Interactions in Chemistry …, 2016 - Springer
In solving problems of enzyme catalysis, biophysics of biopolymers, biomembranes,
molecular biology and physico-chemistry of polymers it is necessary to know the spatial …
molecular biology and physico-chemistry of polymers it is necessary to know the spatial …