DENSITY-FUNCTIONAL THEORY; COUPLED-CLUSTER DOUBLES; ELECTRONIC-STRUCTURE CALCULATIONS; FAST MULTIPOLE METHOD; GAUSSIAN-BASIS SETS; PLESSET PERTURBATION-THEORY; POTENTIAL-ENERGY SURFACES; AB-INITIO CALCULATIONS; NMR CHEMICAL-SHIFTS; DUAL BASIS-SETS
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.8, no.27, pp.3172 - 3191
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.