Evaluation of molecular interaction in binary mixture of ionic liquids + heterocyclic nitrogen compounds: Ab initio method and cosmo-rs model

Industrial and Engineering Chemistry Research

Volumn 52, Issue 50, 2013, Pages 18043-18058

  Hizaddin, Hanee F ^a   Hashim, Mohd Ali ^a   Anantharaj, Ramalingam ^a  

^a UNIVERSITY OF MALAYA   (Malaysia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ELECTROPHILICITY INDEX; HETEROCYCLIC NITROGEN COMPOUNDS; INTERACTION ENERGIES; PARTIAL CHARGE TRANSFER; QUALITATIVE SCREENING; QUANTUM CHEMICAL DESCRIPTORS; SCALAR PROPERTIES;

BINARY MIXTURES; CHEMICAL BONDS; DRUG PRODUCTS; ELECTRONEGATIVITY; LIQUID FUELS; NITROGEN COMPOUNDS; ORGANIC COMPOUNDS; QUANTUM CHEMISTRY;

IONIC LIQUIDS;

EID: 84890761832     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie403032t     Document Type: Article

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