نتایج جستجو برای: delocalization index

تعداد نتایج: 398868  

Journal: :Chemical communications 2010
Wesley A Hoffert Anthony K Rappé Matthew P Shores

A trinuclear redox-active complex with an unprecedented ene-triyne backbone has been isolated and structurally characterized. The mono-oxidized mixed-valent species exhibits electronic delocalization necessary for molecular circuitry.

Journal: :Теория вероятностей и ее применения 1998

Journal: :Journal of Molecular Liquids 2022

In this work the role that charge delocalization plays in non-linear optical response of ionic liquids is evaluated. The first hyperpolarizability for process second harmonic generation (SHG) and electro-optical Kerr-Effect (EOKE) a large number liquid forming ions were estimated by means density functional theory calculations. results point to both molecular geometry are key features govern th...

Journal: :The Journal of chemical physics 2010
Tim Heaton-Burgess Weitao Yang

The ground state structure of C(4N+2) rings is believed to exhibit a geometric transition from angle alternation (N < or = 2) to bond alternation (N > 2). All previous density functional theory (DFT) studies on these molecules have failed to reproduce this behavior by predicting either that the transition occurs at too large a ring size, or that the transition leads to a higher symmetry cumulen...

Journal: :Journal of virology 2009
Christine L Nguyen Karl Münger

We previously observed that high-risk human papillomavirus type 16 (HPV16) E7 expression leads to the delocalization of dynein from mitotic spindles (C. L. Nguyen, M. E. McLaughlin-Drubin, and K. Munger, Cancer Res. 68:8715-8722, 2008). Here, we show that HPV16 E7 associates with nuclear mitotic apparatus protein 1 (NuMA) and that NuMA binding and the ability to induce dynein delocalization map...

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