Artëm E. Masunov

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• Recent advances in supercritical CO2 combustion for zero-emission direct-fired power cycles2026
• Isomer Lifetimes and Structure Dynamics of Sub-Nanosized Magnesium Clusters2026
• Structure and properties of subnanosized magnesium clusters at correlated ab initio levels2024
• Covalent Organic Frameworks in Computational Design of Second-Harmonic Generation Materials: Role of Tetrel Atoms and Their Interactions2024
• Determination of the Diffusion Coefficients of Binary CH4 and C2H6 in a Supercritical CO2 Environment (500–2000 K and 100–1000 atm) by Molecular Dynamics Simulations2024
• Report on the sixth blind test of organic crystal structure prediction methods2016 · аннотациясвернуть

  The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride salt hydrate, a…

• Phosphate ester hydrolysis of biologically relevant molecules by cerium oxide nanoparticles2010
• Potentials of Mean Force between Ionizable Amino Acid Side Chains in Water2003 · аннотациясвернуть

  Potentials of mean force (PMF) between all possible ionizable amino acid side chain pairs in various protonation states were calculated using explicit solvent molecular dynamics simulations with umbrella sampling and…