نتایج جستجو برای: partial charge density

تعداد نتایج: 752104  

Journal: :The journal of physical chemistry. B 2005
Anna Berlin Sara Grimoldi Gianni Zotti Reyes Malavé Osuna Mari Carmen Ruiz Delgado Rocío Ponce Ortiz Juan Casado Víctor Hernandez Juan T López Navarrete

The synthesis and a combined spectroscopic and density functional theoretical characterization of a 3',4'-ethylenedioxy-5,5' '-bis(dicyanomethylene)-5,5' '-dihydro-2,2':5',2' '-terthiophene analogue of 7,7,8,8-tetracyanoquinodimethane (TCNQ) are presented. Electrochemical data show that this novel trimer can be both reversibly reduced and oxidized at relatively low potentials. Quantum-chemical ...

Journal: :Acta Crystallographica Section A Foundations and Advances 2017

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