Açık Akademik Arşiv Sistemi
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4-methoxybenzaldehyde-N-methyl-4-stilbazolium tosylate; spectroscopic and structural properties; natural bond orbital analysis; nonlinear optical parameters; Hartree-Fock and density functional theory calculations (2)
C-6 fluoroalkylated pyridine; potential energy scan; natural bonding orbital analysis; nonlinear optical properties; HF and DFT calculations (2)
(E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol; Crystal structure; Vibrational spectroscopy; DFT calculations; NLO and NBO analysis (1)
(Z)-1-((naphthalen-2-ylamino)methylene)naphthalen-2(1H)-one; IR spectra; DFT calculations; NLO and NBO analysis; Conformational analysis (1)
5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine; HF and DFT calculations; Conformational analysis; NBO and NLO analysis (1)
C-6 fluoroalkylated pyridine; Potential energy scan; Natural bonding orbital analysis; Nonlinear optical properties; HF and DFT calculations (1)
N,N-dimethyltryptamine; Bioactivity; B3LYP and HSEh1PBE; NLO and NBO analysis (1)
N-(2-hydroxybenzylidene)acetohydrazide (HBAH); DFT calculations; NLO and NBO analysis; Conformational analysis (1)
Nicotinic acid; X-ray diffraction; FT-IR and NMR; Ab initio calculations; Electrostatic potential molecular surfaces (1)
Spectroscopy (1)
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