Evaluation of Influencing Factors in Tetravalent Uranium Complex-Mediated CO2 Functionalization by Density Functional Theory

2020 ◽  
Vol 124 (13) ◽  
pp. 2683-2693
Author(s):  
Yanxiao Liu ◽  
Ruozhuang Liu ◽  
Wanjian Ding ◽  
Dongqi Wang
2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer

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.


2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,

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