The Electronic Structure of the Photoexcited Triplet State of Free-Base (Tetraphenyl)porphyrin by Time-Resolved Electron−Nuclear Double Resonance and Density Functional Theory

2003 ◽  
Vol 125 (45) ◽  
pp. 13861-13867 ◽  
Author(s):  
Christopher W. M. Kay
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Triplet State ◽  
Density Functional ◽  
Double Resonance ◽  
Free Base ◽  
Electron Nuclear Double Resonance ◽  
Functional Theory ◽  
Time Resolved ◽  
Tetraphenyl Porphyrin

The triplet state of a platinum acetylide chromophore examined by time-resolved infrared spectroscopy and density functional theory

2004 ◽  
Vol 400 (1-3) ◽  
pp. 239-244 ◽  
Author(s):  
Thomas M. Cooper ◽  
Jean-Philippe Blaudeau ◽  
Benjamin C. Hall ◽  
Joy E. Rogers ◽  
Daniel G. McLean ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Infrared Spectroscopy ◽  
Triplet State ◽  
Density Functional ◽  
Functional Theory ◽  
Time Resolved ◽  
Time Resolved Infrared Spectroscopy

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

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