A theoretical study of the vibrational properties of trifluoromethanol and the trifluoromethyl hypohalites, CF3OX (X=H, F, Cl, Br)
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference22 articles.
1. Theoretical molecular structures for trifluoromethyl hypohalites, CF3OX (X=F, Cl, Br): ab initio and DFT calculations
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. Density‐functional thermochemistry. III. The role of exact exchange
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