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Journal of Molecular Structure: THEOCHEM

Volumn 712, Issue 1-3, 2004, Pages 187-195

The CH 3POF 2 molecule: Ab initio studies of structure, vibrational spectrum and methyl rotational barrier

(3) Barbosa, Antônio C P a Borges Jr , Itamar a Oh Lin, Whei a

a MILITARY INSTITUTE OF ENGINEERING (Brazil)

Author keywords

Intrinsic reaction coordinate; Methyl rotation; Methylphosphonic difluoride; Structure; Vibrational spectrum

Indexed keywords

FLUORIDE; PHOSPHONIC ACID DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CIRCLING BEHAVIOR; COMPARATIVE STUDY; CORRELATION ANALYSIS; DIPOLE; POLARIZATION; VIBRATION;

EID: 11144315963 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2004.10.024 Document Type: Article

Times cited : (6)

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