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Pseudorotaxane formation affected by stereo-electronic effects: A theoretical and experimental study
(Royal Society of Chemistry, 2021-12)
We report a theoretical and experimental study on different complexes of pseudorotaxanes possessing pyridine axles. In order to evaluate the stereo-electronic effects of the methyl substituents in the pyridine ring, complexes ...
Laser Altimeter For The Deep Space Mission Aster Modeling And Simulation Of The Instrument Operation Above A Surface With Crater
(Springer Science and Business Media, LLC, 2016)
Understanding supply chain performance by simulation
(2009)
Companies need to coordinate a wide variety of decisions that will impact their performance as well as the performance of the whole supply chain they belong. There are several simulators of supply chains available on the ...
Understanding supply chain performance by simulation
(2009)
Companies need to coordinate a wide variety of decisions that will impact their performance as well as the performance of the whole supply chain they belong. There are several simulators of supply chains available on the ...
The stability of hollow nanoparticles and the simulation temperature ramp
(Royal SOC. chemistry, 2018-05)
Hollow nanoparticles (hNPs) are of interest because their large cavities and small thickness give rise to a large surface to volume ratio. However, in general they are not in equilibrium and far from their global energy ...
A Method for Detection of Water Permeation Events in Molecular Dynamics Simulations of Lipid Bilayers
(2022-06-01)
The cell membrane is one of the most important structures of life. Understanding its functioning is essential for several human knowledge areas, mainly how it controls the efflux of substances between the cytoplasm and the ...
Hardware implementation of non-bonded forces in molecular dynamics simulations
(Universidad del ValleColombiaFACULTAD DE INGENIERÍAINGENIERIA ELECTRÓNICA, 2011)
Molecular Dynamics is a computational method based on classical mechanics to describe the behavior of a molecular system. This method is used in biomolecular simulations, which are intended to contribute to the study and ...