“Inverted” CO molecules on NaCl(100): a quantum mechanical study

A quantum-mechanical study on nitro and amino derivatives of 1,2,3,4-tetrazine

Quantum-CORMs: quantum dot sensitized CO releasing molecules.

The synthesis and photodecomposition behaviour of a family of CO releasing molecules (CORMs) based on [Mn(CO)3bpy] derivatives connected to a semiconductor Quantum Dot (QD) sensitizer is described here. Compared to the non-sensitized complexes, such systems show a 2 to 6-fold increase of the photodecomposition rate upon irradiation with visible light.

A study on the mechanical behaviour of WC/Co hardmetals

The hardmetal cutting tools used in machining are submitted to extreme conditions in terms of temperature and mechanical loading. A better understanding of the failure of cutting tools and capability to predict tool life are key factors in the development of new tool materials with improved mechanical behaviour. Main failure mechanisms are wear, thermal–mechanical fatigue and brittle fracture. ...

The Stability of Small Atoms and Molecules: A Quantum Mechanical Three-Body Study

Three-body systems provide the perfect framework for studying the quantum mechanics of both atoms and molecules. These studies can probe the fundamentals of particle interactions that underpin stability, reactivity and structure. This thesis contains a series of studies into the stability of ground state three-body systems. The focus of this thesis has been the high accuracy computation of thre...

a study on construction of iranian life tables: the case study of modified brass logit system

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