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Vibrational Stark Effects of Nitriles II. Physical Origins of Stark Effects from Experiment and Perturbation Models
platinum titania catalyst flame synthesis one-step oxidation screening
2016/5/23
Vibrational Stark effects, which are the effects of electric fields on vibrational spectra, were measured previously for the C−N stretch mode of several small nitriles, yielding difference dipol...
Stochastic theory of large-scale enzyme-reaction networks: Finite copy number corrections to rate equation models
Stochastic theory large-scale enzyme-reaction networks Finite copy number corrections
2011/8/18
Abstract: Chemical reactions inside cells occur in compartment volumes in the range of atto- to femtolitres. Physiological concentrations realized in such small volumes imply low copy numbers of inter...
Atomistic simulations of electrolyte solutions and hydrogels with explicit solvent models
Atomistic simulations electrolyte solutions hydrogels explicit solvent models
2011/8/11
Abstract: Two of the most challenging tasks in molecular simulation consist in capturing the properties of systems with long-range interactions (e.g. electrolyte solutions) as well as systems containi...