In this study, we theoretically investigated Methyl hydrazinecarbodithioate by quantum chemical calculations for geometry optimization, vibration frequencies, and electronic structure parameters. The geometry optimization by DFT, ab initio MP2 method and the frequency calculation by DFT method was performed at the highest available Pople style 6-311G++(3df,3pd) basis set level. The semi-emp...

Grating displacement measurement technique is an important means to achieve precise displacement measurement of nanometer scale. Moiré fringe phase difference measurement is the basis of grating displacement measurement technique. Traditional Moiré fringe subdivision method based on DFT algorithm has low frequency resolution relatively when extracting Moiré fringe fundamental frequency spectral...

A binary embedded-atom method (EAM) potential is optimized for Cu on Ag(111) by fitting to ab initio data. The fitting database consists of DFT calculations of Cu monomers and dimers on Ag(111), specifically their relative energies, adatom heights, and dimer separations. We start from the Mishin Cu–Ag EAM potential and first modify the Cu–Ag pair potential to match the FCC/HCP site energy diffe...

New technologies emerging day by day and main focus to give a better quality of service at low cost. LTE has adopted DFT-spread OFDMA technique as the uplink multiple access schemes which use single carrier modulation and frequency domain equalization. In our research work, we show the PAPR performance of DFT-spreading technique. The performance of PAPR of DFT spreading technique is dependent o...

The accuracy of non-local van der Waals density functional [1] is tested for the thermochemical properties of 1200+ atoms and molecules in the GMTKN30 database. Five (hybrid)GGA functionals are augmented by the non-local (NL) part of the VV10 functional. The widely used atom-pair wise dispersion correction DFT-D3 [2] is considered for comparison. The addition of the NL dispersion energy definit...

In this paper a time-frequency estimator for enhancement of noisy speech signals in the DFT domain is introduced. This estimator is based on modeling the time-varying correlation of the temporal trajectories of the short time (ST) DFT components of the noisy speech signal using autoregressive (AR) models. The timevarying trajectory of the DFT components of speech in each channel is modeled by a...

AIMS To investigate the correlation between body weight and defibrillation threshold (DFT) for transvenous lead systems using a porcine model. METHODS AND RESULTS Twenty-eight pigs were anaesthetised and DFTs assessed in single and dual coil configurations using a four-reversal binary search method. DFT was correlated with body weight in the RV --> Can and RV --> SVC + Can configurations. A P...

This paper presents a new fast Discrete Fourier Transform (DFT) algorithm. By rewriting the DFT, a new algorithm is obtained that uses 2 n?2 (3n?13)+4n?2 real multiplications and 2 n?2 (7n? 29) + 6n + 2 real additions for a real data N = 2 n point DFT, comparable to the number of operations in the Split-Radix method, but with slightly fewer multiply and add operations in total. Because of the o...