نتایج جستجو برای: molecular cluster

تعداد نتایج: 824340  

2007
R. C. Fadanelli P. L. Grande

Electronic energy loss of molecular clusters as a function of impact-parameter is less understood than atomic energy loss. Vicinage effects due to mutual interference between cluster fragments play a key role in the determination of the cluster electronic energy loss. In this work, we describe a molecular extension of the PCA (perturbative convolution approximation) energy-loss model, namely MP...

Journal: :The journal of physical chemistry. B 2016
Ana P de Lima Batista Federico Zahariev Igor I Slowing Ataualpa A C Braga Fernando R Ornellas Mark S Gordon

The aldol reaction catalyzed by an amine-substituted mesoporous silica nanoparticle (amine-MSN) surface was investigated using a large molecular cluster model (Si392O958C6NH361) combined with the surface integrated molecular orbital/molecular mechanics (SIMOMM) and fragment molecular orbital (FMO) methods. Three distinct pathways for the carbinolamine formation, the first step of the amine-cata...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شهید بهشتی - دانشکده علوم 1386

چکیده ندارد.

Journal: :Proceedings of the International Astronomical Union 2005

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