نتایج جستجو برای: self consistent reaction field scrf solvent

تعداد نتایج: 1956439  

Journal: :Journal of Chemical Theory and Computation 2017

Journal: :Journal of chemical theory and computation 2011
Leif D Jacobson John M Herbert

We recently introduced a mixed quantum/classical model for the hydrated electron that includes electron/water polarization in a self-consistent fashion, using a polarizable force field for the water molecules [ J. Chem. Phys. 2010 , 133 , 154506 ]. Calculation of the electronic absorption spectrum for this model is not straightforward, owing to the state-specific nature of the Hamiltonian, the ...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - پژوهشکده فنی و مهندسی 1388

asymmetric polyethersulfone (pes) microfiltration flat sheet membranes were composed by the phase inversion method (pim) and were used as supports. composite membranes were fabricated by coating silicone rubber as selective layer. effect of different concentrations of pes and pdms and different solvent such as nmp, dmf and dms effects as pes solvents and support thickness and different coagulat...

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