In this study, a quantitative method for classifying the frost geometry is first proposed to substantiate numerical model in predicting properties like density, thickness, and thermal conductivity. This can recognize crystal shape via linear programming of existing map morphology. By using method, conditions be taken into account obtain corresponding conductivity, density specific crystal. It f...

Most text categorization methods require text content of documents that is often difficult to obtain. We consider “Collaborative Text Categorization”, where each document is represented by the feedback from a large number of users. Our study focuses on the semisupervised case in which one key challenge is that a significant number of users have not rated any labeled document. To address this pr...

PURPOSE Thermal analysis techniques have been used to study the thermal behavior of dapoxetine and vardenafil hydrochlorides and confirmed using semi-empirical molecular orbital calculations. METHODS Thermogravimetric analysis, derivative thermogravimetry, differential thermal analysis and differential scanning calorimetry were used to determine the thermal behavior and purity of the drugs un...

We review the first successes and failures of a "new wave" of quantum chemistry-based approaches to the treatment of protein/ligand interactions. These approaches share the use of "enhanced", dispersion (D), and/or hydrogen-bond (H) corrected density functional theory (DFT) or semi-empirical quantum mechanical (SQM) methods, in combination with ensemble weighting techniques of some form to capt...

In spite of the importance of nonadiabatic dynamics simulations for the understanding of ultrafast photo-induced phenomena, simulations based on different methodologies have often led to contradictory results. In this work, we proceed through a comprehensive investigation of on-the-fly surface-hopping simulations of 9H-adenine in the gas phase using different electronic structure theories (ab i...