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Ultra-smooth surfaces from template-stripping procedures can be also used for periodic structures preparation [23], which can induce effects of surface plasmon resonance.
Carbon alloys with diverse structures, preparation methods and properties, are characterized and evaluated specifically from a microscopic point of view, where the structures of carbons and graphite are controlled and designed on an atomic scale.
Program TRITON is a user oriented software with graphical interface that enables visualization of molecular structures, preparation of input files for computational software and analysis of output data.
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No additional solvents were required during the structure preparation process.
Ligand structure preparation is an essential step during the setup of virtual screening (VS) experiments.
CADDSuite provides a wide range of tools for structure preparation, docking, QSAR and related topics.
The system was parameterised as described in the Structure Preparation section.
The target structure preparation caused only small performance differences, typically in favor of MOE.
The software is mainly focused on the molecular structure preparation for calculations, taking into account typical user problems.
Very important part of theoretical simulations is a process of structure preparation, geometry editing and detailed examination of properties.
Afterwards, we compared the accuracy of these QSPR models and discussed the influence of the methodology for 3D structure preparation.
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