https://www.selleckchem.com/pr....oducts/chitosan-olig
A full-dimensional global potential energy surface (PES) for the KRb + KRb → K2Rb2* → K2 + Rb2 reaction is reported based on high-level ab initio calculations. The short-range part of the PES is fit with the permutationally invariant polynomial-neural network method, while the long-range parts of the PES in both the reactant and product asymptotes are represented by an asymptotically correct form. The long- and short-range parts are connected with intermediate-range parts to make them smooth. Within a statistical quantu
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