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(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)
Crystallography (1)
Engineering (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)
Optics (1)
X-ray structure determination; FT-IR; DFT and PBE1PBE calculations; NLO properties; HOMO-LUMO analysis; Silver(I) NHC complex (1)
Now showing items 11-20 of 92
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