2014•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine

Hacer Pi̇r Gümüş, Ömer Tamer, Davut Avcı, Yusuf Atalay

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Key concepts: Natural bond orbital, Hyperpolarizability, Dihedral angle, Polarizability, Chemistry, HOMO/LUMO, Molecular geometry, Computational chemistry

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Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine — Research Paper | ScholarLens