Physics – Chemical Physics
Scientist
Physics
Chemical Physics
Scientist
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Moller-Plesset perturbation theory
Electronic structure of clusters (LiBC)_n: n=1, 2, 4
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view
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