Infrared spectroscopy studies of 1,3-indanedione (ID) in 16 different pure organic solvents were undertaken to investigate the solvent– solute interactions and to correlate solvent properties, such as the Kirkwood–Bauer–Magat (KBM) equation, the solvent acceptor number (AN) and the linear solvation energy relationships (LSER), using the infrared band shift. The correlations were performed both ...

In this investigation, the interaction of C20 and Si2H2 molecules was explored in the M06-2X/6-311++G(d,p)level of theory in gas solution phases. The obtained interaction energy values with standard method werecorrected by basis set superposition error (BSSE) during the geometry optimization for all molecules atthe same level of theory. Also, the bonding interaction between th...

The mesocrystal showing both electrorheological and magnetorheological effects is called electro-magnetorheological (EMR) solids. Prediction of the overall magnetic properties of the EMR solids is a challenging task due to the coexistence of the uniaxially anisotropic behavior and structural transition as well as long-range interaction between the suspended particles. To consider the uniaxial a...

Two approaches for applying the Onsager-Kirkwood-Fröhlich equation to liquid mixtures are revisited at the light of recent developments leading to the estimation of relative permittivities and refractive indices of thermodynamically ideal liquid mixtures. From the one-liquid approach, the squared permanent dipole moment of the mixture molecular-equivalent species M is demonstrated to be a mole-...

The purpose of this study was to describe the development of a clinical model for lung cancer patients treated with stereotactic body radiotherapy (SBRT) within a knowledge-based algorithm for treatment planning, and to evaluate the model performance and applicability to different planning techniques, tumor locations, and beam arrangements. 105 SBRT plans for lung cancer patients previously tre...

Finite β effects on impurity transport are studied through local linear gyrokinetic simulations with gyro [J. Candy and E. Belli, General Atomics Report GA-A26818 (2011)]; in particular we investigate the parametric dependences of the impurity peaking factor (zero-flux density gradient) and the onset of the kinetic ballooning modes (KBM). We find that electromagnetic effects even at low β can h...

The previously presented Kinematic Bézier Maps (KBM) are a machine learning algorithm that has been tailored to efficiently learn the kinematics of redundant robots. This algorithms relies upon a representation based on projective geometry that uses a special set of polynomial functions borrowed from the field of Computer Aided Geometric Design (CAGD). So far, it has only been possible to learn...

The authors study a validity timescale of the discrete truncated Wigner approximation for several quantum-spin systems with long-range interactions step-function form by using Bogoliubov-Born-Green-Kirkwood-Yvon equation.

Spin coherent states play a crucial role in defining QESM (quasi-exactly solvable models) establishing a strict correspondence between energy spectra of spin systems and low-lying quantum states for a particle moving in a potential field of a certain form. Spin coherent states are also used for finding the Wigner-Kirkwood expansion and quantum corrections to energy quantization rules. The close...

The rigorous evolution equation for the one-body distribution function f(t) describing an imperfect gas is not closed according to the investigations of Bogoliubov, Born, Green, Kirkwood, Yvon and others (B—B—G—K-Y hierarchy). The analysis of this equation is made in terms of connected diagrams. It is shown that in the bulk limit this equation can rigorously be transformed into an equation whic...