in this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (bnnt) has been investigated by quantum calculations. in order to find the preferred adsorption site, different positions and orientations were considered. the impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

This paper discusses work developed in recent years, in the domain of quantum optics, which has led to a better understanding of the classical limit of quantum mechanics. New techniques have been proposed, and experimentally demonstrated, for characterizing and monitoring in real time the quantum state of an electromagnetic field in a cavity. They allow the investigation of the dynamics of the ...

the present work reports the detailed b3lyp/6-311++g(d,p) study of most stable transand cisconfigurations photoisomerization in the core system of computational photochemistry-the 5,5'-disubstituted-1,1'-azobis (tetrazole) molecules. all computations were carried out in gas phase attemperature 293.15 k and pressure 1 atm. firstly; the potential energy surface (pes) of the groundstate ...

The search for experimental demonstrations of the quantum behavior of macroscopic mechanical resonators is a fastly growing field of investigation and recent results suggest that the generation of quantum states of resonators with a mass at the microgram scale is within reach. In this chapter we give an overview of two important topics within this research field: cooling to the motional ground ...

in the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of nh-acid, such as 5-aminoindazole 3 were investigated theoretically. quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. the first step of ...

We introduce a new type of orthomodular poset which is obtained by considering the pasting of partitions of a set. These partition logics appear in the experimental investigation of finite automata and can be related to certain quantum mechanical systems.

The ability to engineer both linear and nonlinear coupling with a mechanical resonator is an important goal for the preparation and investigation of macroscopic mechanical quantum behavior. In this work, a measurement based scheme is presented where linear or square mechanical-displacement coupling can be achieved using the optomechanical interaction that is linearly proportional to the mechani...