Share This Author
Electronic and dynamical properties of NiAl studied from first principles
Pressure induced phase transition in ZnS
Ab initio calculations of elastic constants and thermodynamic properties of Li2O for high temperatures and pressures
Prediction of Henry's law constants of small gas molecules in liquid ethylene oxide and ethanol using force field methods
First-Principles Calculations on Elasticity and Anisotropy of Tetragonal Tungsten Dinitride under Pressure
First-principles calculations of the crystal structure and the elastic properties of tetragonal WN2 have been performed with the plane-wave pseudopotential density functional theory method. The…
Superconductivity of Pressure-Stabilized Vanadium Hydrides.
The first-principles structure searches for stable vanadium(V) hydrides over a pressure scope 0-200 GPa uncovered the crystal structures of V hyDRides, but also established the high-temperature superconductive nature of them.
Microwave-assisted fluorous synthesis of 2-aryl-substituted 4-thiazolidinone and 4-thiazinanone libraries.
A straightforward two-step protocol for the synthesis of 2-aryl-substituted 4-thiazolidinone and 4-thiazinanone libraries has been developed. The one-pot, three-component reactions of fluorous…
Phase transition and thermodynamic properties of Sr under high pressure
Spectroscopy (FT-IR, FT-Raman), hydrogen bonding, electrostatic potential and HOMO-LUMO analysis of tioxolone based on DFT calculations
Investigation of the Solubilities of Carbon Dioxide in Some Low Volatile Solvents and Their Thermodynamic Properties
Solubilities of CO2 have been measured in five low volatile organic solvents at temperatures ranging from 293.15 to 323.15 K with 10K intervals under a pressure of 0 to 600.0 kPa using an isochoric…