Ab initio and density functional theory studies on vibrational spectra of palladium (II) and platinum (II) complexes of methionine and histidine: Effect of theoretical methods and basis sets

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 13, 2004, Pages 3187-3195

  Yang, Gaosheng ^a   Jin, Chen ^a   Hong, Jing ^a   Guo, Zijian ^a   Zhu, Longgen ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Ab initio; DFT; Histidine; Methionine; Palladium; Platinum; Vibrational spectra

Indexed keywords

COMPLEXATION; COMPUTATIONAL GEOMETRY; HARMONIC ANALYSIS; HEAVY METALS; INFRARED SPECTROSCOPY; OPTIMIZATION; PLATINUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; X RAY CRYSTALLOGRAPHY;

AB INITIO; HISTIDINE; METHIONINE; VIBRATIONAL SPECTRA;

PALLADIUM COMPOUNDS;

HISTIDINE; METHIONINE; PALLADIUM; PLATINUM;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; VIBRATION;

HISTIDINE; METHIONINE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PALLADIUM; PLATINUM; SPECTROPHOTOMETRY, INFRARED; VIBRATION;

EID: 5444228412     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2004.02.006     Document Type: Article

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