QSPR with extended topochemical atom (ETA) indices: Exploring effects of hydrophobicity, branching and electronic parameters on logCMC values of anionic surfactants

Chemical Engineering Science

Volumn 87, Issue , 2013, Pages 141-151

  Roy, Kunal ^a   Kabir, Humayun ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

Computation; Computational chemistry; ETA; Mathematical modeling; QSPR; Surfactant

Indexed keywords

ANIONIC SURFACTANTS; BIOPHYSICS; CALCULATIONS; COMPUTATIONAL CHEMISTRY; CRITICAL MICELLE CONCENTRATION; MATHEMATICAL MODELS; PRINCIPAL COMPONENT ANALYSIS; SURFACE ACTIVE AGENTS;

CRITICAL MICELLE CONCENTRATION (CMC); DESCRIPTORS; ELECTRONIC NATURES; ELECTRONIC PARAMETERS; ETA; MODEL DEVELOPMENT; PREDICTIVE ABILITIES; PRINCIPLE COMPONENT ANALYSIS; QSPR; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; STATISTICAL QUALITY; TOPOCHEMICAL; TOPOLOGICAL DESCRIPTORS;

HYDROPHOBICITY;

EID: 84868306627     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2012.10.002     Document Type: Article

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