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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)
Cherenkov detectors; Aerogel; Scintillation detectors; Data analysis; Elastic electron scattering (1)
Composite fermions; Deformed Fermi gas model; Virial expansion; Thermostatistics (1)
CuNNi3; Density functional theory; Superconductivity; Electronic structure; Phonons (1)
density-functional theory; ab initio; electronic properties; electronic density of states; phonons; superconductivity (1)
Disperse azo dyes; Quantum chemical calculations; FT-IR; NMR; UV-Vis; NLO (1)
Geology (1)
MCHF method; allowed and forbidden transitions; transition rates; wavelengths (1)