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Electronic structure and optical properties of triangular GaAs/AlGaAs quantum dots: Exciton and impurity states
Electronic structure and optical properties in equilateral triangular GaAs/Al0.3Ga0.7As quantum dots are studied extensively. The effects of donor and acceptor impurity atoms positioned in the orthocenter of the triangle, ...
Structure and bonding in WCn (n = 2–5) clusters
Stochastic explorations of the configurational spaces for WC n (n = 2–5) clusters lead to densely populated spin states at each molecularity. We found 8, 16, 42, and 68 well-defined minima for n = 2, 3, 4, 5, respectively, ...
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Organizational software processes improvement offers a key opportunity for organizations to be more efficient and effective. However, in most cases software process improvement initiatives in organizations become a path ...
Gas-Phase Elimination Reaction of Ethyl (5-cyanomethyl-1,3,4-thiadiazol-2-yl)carbamate: A Computational Study
The gas‐phase elimination reaction of ethyl (5‐cyanomethyl‐1,3,4‐thiadiazol‐2‐yl)carbamate has been studied computationally at the MP2/6–31++G(2d,p) level of theory. The values of the activation parameters and rate constants ...