All Stories

  1. When heating isn’t cooling in reverse: Nosé–Hoover thermostat fluctuations from equilibrium symmetry to nonequilibrium asymmetry
  2. Chaos in nonequilibrium two-temperature ( T x , T y ) Nosé–Hoover cell models
  3. Molar excess of coordinating N-heterocyclic carbene ligands triggers kinetic digestion of gold nanocrystals
  4. Free Energy Calculations and Conformational Analysis of Dibenzo-30-crown-10 with Sm2+, Eu2+, and Three Halide Salts in THF Using the AMOEBA Force Field
  5. Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm2+, Eu2+, Dy2+, Yb2+, Cf2+, and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the ...
  6. Molecular dynamics study of Sm2+ and Eu2+ in water with polarizable AMOEBA force field
  7. Studies of Functional Defects for Fast Na‐Ion Conduction in Na3−yPS4−xClx with a Combined Experimental and Computational Approach
  8. Application of a Novel Ultrasonic Technology to Improve Oil Recovery with an Environmental Viewpoint