Predicting the binding capability of benzothiazoline-2-thione and its derivatives with gold: A DFT and FT-Raman combined studies

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 4, 2008, Pages 1535-1539

  Sun, Ru ^a   Ge, Jianfeng ^a   Yao, Jianlin ^a   Li, Shujin ^a   Shen, Hongxia ^a   Gu, Renao ^a  

^a SOOCHOW UNIVERSITY   (China)

Author keywords

Benzothiazoline 2 thione; Binding capability; Density functional theory; Derivatives; FT Raman spectroscopy; Gold

Indexed keywords

ARCHITECTURAL ACOUSTICS; BENZENE; BINDING ENERGY; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DISCRETE FOURIER TRANSFORMS; GOLD; GOLD COMPOUNDS; MONOMERS; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS; SULFUR COMPOUNDS;

BENZOTHIAZOLINE-2-THIONE; BINDING CAPABILITY; DERIVATIVES; FT-RAMAN SPECTROSCOPY;

PROBABILITY DENSITY FUNCTION;

BENZENE; BENZOTHIAZOLE DERIVATIVE; BENZOTHIAZOLINE; GOLD; METAL; THIOKETONE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; ELECTRON; INFRARED SPECTROSCOPY; METHODOLOGY; RAMAN SPECTROMETRY;

BENZENE; BENZOTHIAZOLES; CHEMISTRY; ELECTRONS; GOLD; METALS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOFTWARE; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THIONES;

EID: 53949097592     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.05.013     Document Type: Article

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