We present an investigation of structural dynamics in excited-state cations probed in real-time by femtosecond time-resolved ion photofragmentation spectroscopy. From photoelectron spectroscopy data on 1,3-dibromopropane we conclude that the pump pulse ionizes the molecule, populating an excited electronic state of the radical cation. In this state a coherent torsional vibration of the bromomet...

Introduction: Most modern electronic devices are solid state devices, the active components of which are constructed essentially entirely of inorganic materials. To date, and excepting important applications such as photo-resists in lithography, organic materials have played a rather secondary role in this technology. This situation is changing and considerable interest has developed in the pas...

Molecular Dynamics (MD) simulation and Density Functional Theory (DFT) methods have been used to evaluate the efficiency of four quinoline derivatives on corrosion inhibition in the aqueous phase. Some quantum chemical parameters such as hardness (η), electrophilicity (w), polarizability (a), energy of the highest occupied molecular orbital (EHOMO), energy of th...

We discuss prospects of building hybrid quantum devices involving elements of atomic and molecular physics, quantum optics and solid-state elements with the attempt to combine advantages of the respective systems in compatible experimental setups. In particular, we summarize our recent work on quantum hybrid devices and briefly discuss recent ideas for quantum networks. These include interfacin...

The report presents results of development of an accurate, physics-based model of vibrational androtational energy transfer in three-dimensional collisions of rotating diatomic molecules, applicable over awide range of collision energies and vibrational / rotational quantum numbers, and results of detailedkinetic modeling studies of state-to-state molecular energy transfer processes...