Solvent effects on the vibrational frequencies of the phenolate anion, the para-cresolate anion, and their radicals

Journal of Physical Chemistry A

Volumn 112, Issue 45, 2008, Pages 11400-11413

  McDonald, William J ^a   Einarsdóttir, Ólöf ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS BUFFERS; AQUEOUS SOLVATIONS; CARBON BONDS; COMPUTATIONAL EFFORTS; EXPERIMENTAL FREQUENCIES; EXPLICIT WATERS; HIGH PH; ISOTOPE SHIFTS; MEAN ABSOLUTE DEVIATIONS; NORMAL MODES; PHENOLIC OXYGENS; POLARIZABLE CONTINUUM MODELS; PROJECTION ANALYSIS; QUANTITATIVE COMPARISONS; RELATIVE PHASING; SOLVENT EFFECTS; TOTAL ENERGIES; VIBRATIONAL FREQUENCIES;

CONTINUUM MECHANICS; ISOTOPES; NEGATIVE IONS; OXYGEN; PHENOLS; PULSE CODE MODULATION;

IONS;

ANION; CRESOL; FREE RADICAL; PHENOL DERIVATIVE; SOLVENT;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; VIBRATION;

ANIONS; COMPUTER SIMULATION; CRESOLS; FREE RADICALS; PHENOLS; SOLVENTS; VIBRATION;

EID: 57049122842     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp800169w     Document Type: Article

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