Theoretical prediction of vibrational spectra: the harmonic force field and the vibrational spectrum of 4-methylpyridine
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Drug Discovery,Biochemistry
Reference20 articles.
1. A systematic study of the convergence and additivity of correlation and basis set effects on the force constants of small molecules: HF, HCN, and NH3
2. Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene
3. Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental andabinitioquantum chemical information
4. Theoretical prediction of vibrational spectra. 1. The in-plane force field and vibrational spectra of pyridine
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1. Synthesis, characterization and crystal structures of heteronuclear coordination polymers with 4-methylpyridine;Structural Chemistry;2023-12-28
2. Electrochemical reduction of sulfite based on gold nanoparticles/silsesquioxane-modified electrode;Electrochimica Acta;2017-10
3. Studies on nitramide and its methyl derivatives with ab initio calculations. IV. The harmonic force field and vibrational spectra of dimethylnitramine and its isotopic derivatives;Chinese Journal of Chemistry;2010-08-27
4. Theoretical studies on the molecular structure and vibrational spectra of some dimethyl substituted pyridine derivatives;Journal of Molecular Modeling;2008-10-25
5. Methyl Group Internal Rotation Dynamics: Overtone Study of Gaseous Methylpyridine-2-αd2 and -3-αd2;The Journal of Physical Chemistry A;2000-09-15
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