Implementation of quantum information processing based on spatially localized electronic spins in stable molecular radicals is discussed. The necessary operating conditions for such molecules are formulated in self-assembled monolayer (SAM) systems. As a model system we start with 1,3-diketone types of neutral radicals. Using first principles quantum chemical calculations we prove that these molecules have stable localized electron spin, which may re present a qubit in quantum information processing. (c) 2007 Elsevier B.V. All rights reserved.