Jankowska, Marzena <br/><br/>
DFT studies on armchair (5, 5) SWCNT functionalization. Modification of selected structural and spectroscopic parameters upon two-atom molecule attachment.  [electronic resource] 

 -  Journal of molecular graphics & modelling  Feb 2015 
 - 105-14 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1873-4243 
<br/><br/><label>Standard No.: </label>10.1016/j.jmgm.2014.11.006  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Electrons<br/>Magnetic Resonance Spectroscopy<br/>Models, Molecular<br/>Molecular Conformation<br/>Nanotubes, Carbon--chemistry<br/>Quantum Theory<br/>Spectroscopy, Fourier Transform Infrared<br/>Spectrum Analysis, Raman<br/>Thermodynamics