Concepedia

Detailed structural study of β-artemether: Density functional theory (DFT) calculations of Infrared, Raman spectroscopy, and vibrational circular dichroism

Zhiqiang Wang, Jianchao Chen, Linwei Li, Zhixu Zhou, Yiding Geng, Tiemin Sun

Journal of Molecular Structure · 2015 · 12 citations · 13 references

DOI

Concepts

References

13

Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

Michał H. Jamróz · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 1.3K citations

, , +5

Vibrational frequency prediction using density functional theory

Ming Wah Wong · Chemical Physics Letters · 1996 · 1.2K citations

, , +3

Vibrational spectra of monothiocarbamates-II. IR and Raman spectra, vibrational assignment, conformational analysis and ab initio calculations of S-methyl-N,N-dimethylthiocarbamate

G. Keresztury, S. Holly, G. Besenyei et al. · Spectrochimica Acta Part A Molecular Spectroscopy · 1993 · 913 citations

, , +9

Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94

Thomas A. Halgren · Journal of Computational Chemistry · 1996 · 822 citations

, , +15

Spectroscopic investigations and quantum chemical computational study of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol

Başak Koşar, Ç. Albayrak · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2010 · 689 citations

, , +6