TY - GEN AU - Jankowska,Marzena AU - Kupka,Teobald AU - Stobiński,Leszek AU - Kaminský,Jakub TI - DFT studies on armchair (5, 5) SWCNT functionalization. Modification of selected structural and spectroscopic parameters upon two-atom molecule attachment SN - 1873-4243 PY - 2016///0229 KW - Electrons KW - Magnetic Resonance Spectroscopy KW - Models, Molecular KW - Molecular Conformation KW - Nanotubes, Carbon KW - chemistry KW - Quantum Theory KW - Spectroscopy, Fourier Transform Infrared KW - Spectrum Analysis, Raman KW - Thermodynamics N1 - Publication Type: Journal Article; Research Support, Non-U.S. Gov't UR - https://doi.org/10.1016/j.jmgm.2014.11.006 ER -