The structure of the hydrogen bond network is a key element for understanding water's thermodynamic and kinetic anomalies. While ambient water is strongly believed to be a uniform, continuous hydrogen-bonded liquid, there is growing consensus that supercooled water is better described in terms of distinct domains with either a low-density ice-like structure or a high-density disordered one. We ...

Six-dimensional quantum dynamical calculations are presented for the reaction of (v , j) H2 on Cu~100!, at normal incidence, for v50 – 1 and j50 – 5. The dynamical calculations employed a potential energy surface computed with density functional theory, using the generalized gradient approximation and a slab representation for the adsorbate-substrate system. The aim of the calculations was to e...

Rotational isomerization of acetic acid (CH3COOH) is studied in Ar, Kr, and Xe matrices. The light-induced trans-->cis reaction is promoted using resonant excitation of a number of modes in the 3500-7000 cm(-1) region, and the quantum yields for this process are measured for various acetic acid isotopologues and matrix materials. For excitation of acetic acid at energies above the predicted iso...

conclusions the influences of various facilities and barriers were different in the physical activity of elderly in kashan. the promotion of active life style should be a part of health care planning in elderly. background the supplements and decreasing the limitations are important for suitable physical activity. these factors are different in various environments. objectives the current study...

 Many efficient interior-point methods (IPMs) are based on the use of a self-concordant barrier function for the domain of the problem that has to be solved. Recently, a wide class of new barrier functions has been introduced in which the functions are not self-concordant, but despite this fact give rise to efficient IPMs. Here, we introduce the notion of locally self-concordant barrier functio...

background: evaluating the landmarks for rotation of the distal femur is a challenge for orthopedic surgeons. although the posterior femoral condyle axis is a good landmark for surgeons, the surgical transepicondylar axis may be a better option with the help of preoperative ct scanning. the purpose of this study was to ascertain relationships among the axes’ guiding distal femur rotational alig...

in this research work, alpha particle detector is made using semi-insulating gaas. a surface barrier detector with a semi-insulating gaas substrate at room temperature with pressure of 10-4 torr under -particle radiation with 5.48 mev of am241 source, have been under investigation. energy resolution of 2 and 3 mm schottky diameter have been matured and compared with the effect of voltage varia...

We investigate the rotational properties of a dipolar Bose-Einstein condensate trapped in toroidal geometry. Studying ground states rotating frame and at fixed angular momenta, we observe that acts distinctly different ways depending on whether it is superfluid or supersolid phase. find intriguingly, can support persistent current which occurs local minimum state energy as function momentum, wh...