https://www.selleckchem.com/pr....oducts/oseltamivir-p
Our work paves the way for further research on computation screening of solid-state electrolyte materials.Global coupled three-state two-channel potential energy and property/interaction (dipole and spin-orbit coupling) surfaces for the dissociation of NH3(Ã) into NH + H2 and NH2 + H are reported. The permutational invariant polynomial-neural network approach is used to simultaneously fit and diabatize the electronic Hamiltonian by fitting the energies, energy gradients, and derivative couplings of the two coupled
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