... gradients in ion-exchange chromatography: simulating and experimental verification ... Abstract The literature data about the simulating of internal pH gradients, formed ...
... ABSTRACT . A Monte Carlo simulation of liquid methanol was performed in NVT ensemble at 298 K using a cubic simulation box containing 500 molecules. ...
... Grigorenko B. L., Knyazeva M. A., Nemukhin A. V. Quantum Chemistry Simulation of Reaction in the Aqueous Clusters . 92 . ... L. M., Guzei L. S. An Experimental Investigation and Thermodynamic Simulation of Phase Equelibria in the System Co-Cr-V ...
... in the hydrolysis reaction of triphosphates in aqueous solution: quantum mechanical – molecular mechanical simulations ... fragment potential based quantum mechanical – molecular mechanical (QM/MM) approach has been applied in the simulations ...
... Jalkanen K. and Bohr J. Simulation and Analysis of the Raman Optical Activity Spectra of Amino Acids, Peptides and Proteins in ... The <METHANE> Simulation Model As The First Generic User-Friend Model of Anaerobic Digestion . 22 . ...
... Electron Paramagnetiс Resonance. Numerical simulation of EPR spectra. Molecular mobility in glasses and polymers. ... Vorobiev and Natalia A. Chumakova, Simulation of Rigid-Limit and Slow-Motion EPR Spectra for Extraction of Quantitative Dynamic ...