In the present work, the sensitivity to the moisture (hygroscopisity) is studied for 3,4-dinitropyrazole (DNP) as a famous energetic molecule. All of the DNP-H2O complex systems (1-3) as well as individual molecules were optimized and bond lengths, bond angles, dihedral angles, charge transfer and stability via NBO analysis, corrected interaction energies with ZPE + BSSE and hydrogen bonds anal...

BACKGROUND A balanced nutrition schedule provides the essential substances for proper oral health. OBJECTIVES The aim of this study was to investigate the association between dental caries and body mass index in 6-11 year-old children in Zahedan. MATERIALS AND METHODS In this cross-sectional study 1213 children (670 girls, 543 boys) were included. Body mass index (BMI) and clinical examinat...

BACKGROUND Biphasic waveforms reduce defibrillation threshold (DFT) in a wide variety of models. Although there are several human studies of long-duration, high-tilt biphasic waveform defibrillation, the specific biphasic waveform shape required to achieve optimal DFT reduction is unknown. METHODS AND RESULTS This study tested the effect of single capacitor biphasic waveform tilt modification...

The use of density functional theory (DFT) and time-dependent DFT (TD-DFT) to study the photochemistry of metal complexes is becoming increasingly important among chemists. Computational methods provide unique information on the electronic nature of excited states and their atomic structure, integrating spectroscopy observations on transient species and excited-state dynamics. In this contribut...

We give a detailed study of the discrete Fourier transform (DFT) of r-even arithmetic functions, which form a subspace of the space of r-periodic arithmetic functions. We consider the DFT of sequences of r-even functions, their mean values and Dirichlet series. Our results generalize properties of the Ramanujan sum. We show that some known properties of r-even functions and of the Ramanujan sum...

BACKGROUND Recent results from the largest multicenter randomized trial (Shockless IMPLant Evaluation [SIMPLE]) on defibrillation threshold (DFT) testing suggest that while shock testing seems safe, it does not reduce the risk of failed shocks or prolong survival. A contemporary systematic review of DFT versus no-DFT testing at the time of implantable cardioverter-defibrillator implantation was...