DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE CALCULATIONS; LI-IAFRATE APPROXIMATION; POTENTIAL-ENERGY CURVES; COMPUTATIONAL DESIGN; EIGENVALUE PROBLEMS; HYDROGEN MOLECULE; STATES; CATALYSTS
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.17, no.47, pp.31434 - 31443
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.