Yazar "Akins, Daniel L." için listeleme
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Calculated dependence of vibrational band frequencies of single-walled and double-walled carbon nanotubes on diameter
Aydin, Metin; Akins, Daniel L. (Elsevier, 2010)We have used density functional theory (DFT) at the B3LYP/6-31G level to calculate Raman and IR spectra of zigzag (n,0) single-walled carbon nanotubes (SWNTs) and (n,0) and (2n,0) double-walled carbon nanotubes (DWNTs), ... -
Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1 ',3,3 '-tetraethyl-5,5 ',6,6 '-tetrachloro-benzimidazolocarbocyanine iodide and its aggregate
Aydin, Metin; Dede, Ozge; Akins, Daniel L. (Amer Inst Physics, 2011)We have measured electronic and Raman scattering spectra of 1,1 ',3,3 '-tetraethyl-5,5 ',6,6 '-tetrachloro- benzimidazolocarbocyanine iodide (TTBC) in various environments, and we have calculated the ground state geometric ... -
DFT studies on solvent dependence of electronic absorption spectra of free-base and protonated porphyrin
Aydin, Metin; Akins, Daniel L. (Elsevier Science Bv, 2018)The nature of the solvent and composition of the solution in which optical absorption spectra are acquired can substantially affect the structures of analytes as well as spectra and relative intensities of spectral features. ... -
Geometric and Spectroscopic Properties of Carbon Nanotubes and Boron Nitride Nanotubes
Aydin, Metin; Akins, Daniel L. (Intech Europe, 2011)…
