Interacting with Light

Simulation of RDX Decomposition Interacting with Shock Wave via Molecular Dynamics

Cylotrimethylenetrinitramine (RDX), with the chemical formula C3H6N6O6,is an energetic organic molecule used widely in military and industrial commodities ofexplosives. By stimulating RDX through exerting temperature or mechanical conditionssuch as impact or friction, decomposition reaction occurs at a very high rate. Moleculardynamics techniques and LAMMPS code with Rea...

Electronic, optical, thermodynamic parameter, NMR analysis on fullerene interacting with glycine by DFT methods

Leaving Light Footprints – the Importance of Promoting Responsible International Travel

Irresponsible travel has the potential to harm both the traveler and the host destination. The subject of responsible travel is a major focus of the International Society of Travel Medicine, whose Responsible Travel special interest group has been very active in providing leadership for travel medicine practitioners in relation to the protection of local travel destination communities. Healthca...

Amino acids interacting with defected carbon nanotubes: ab initio calculations

The adsorption of a number of amino acids on a defected single-walled carbon nanotube (SWCNT) isinvestigated by using the density-functional theory (DFT) calculations. The adsorption energies andequilibrium distances are calculated for various configurations such as amino acid attaching to defectsites heptagon, pentagon and hexagon in defective tube and also for several molecular orientationswi...

Decoding of light signals by plant phytochromes and their interacting proteins.

Phytochromes are red/far-red light photoreceptors that convert the information contained in external light into biological signals. The decoding process starts with the perception of red light, which occurs through photoisomerization of a chromophore located within the phytochrome, leading to structural changes that include the disruption of intramolecular interactions between the N- and C-term...

Variational Calculations for the Relativistic Interacting Fermion System at Finite Temperature: Application to Liquid 3He

In this paper, at first we have formulated the lowest order constrained variational method for the relativistic case of an interacting fermion system at finite temperature. Then we have used this formalism to calculate some thermodynamic properties of liquid in the relativistic regime. The results show that the difference between total energies of relativistic and non-relativistic cases of liqu...