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Development of new approaches to the analysis of ring shapes in organic molecules and the description of electronic distribution (atomic charges) and halogen bonding in the framework of forcefield model for rapid estimation of intra- and intermolecular interaction energies in molecular mechanics, molecular dynamics and docking methods . Forcefield is a model and a set of parameters for theoretical description of intra- and intermolecular interactions. ... 2016 Laboratory of Medicinal Chemistry ...

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Nuclear Instruments and Methods in Physics Research B 235 (2005) 448­451 www.elsevier.com/locate/nimb Reflection of nitrogen ions from copper surface: Experiment and calculations N.V. Novikov, Ya.A. Teplova *, Yu.A. Fainberg, V.S. Kulikauskas Institute of Nuclear Physics, Moscow State University, 119899 Moscow, Russia Available online 29 April 2005 Abstract The angular and energy distributions of nitrogen ions reflected from the Cu-surface are measured at the incident energy 300 keV. ...

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