Prediction of melting points for ionic liquids

QSAR and Combinatorial Science

Volumn 24, Issue 4, 2005, Pages 485-490

  Trohalaki, Steven ^a,b   Pachter, Ruth ^a  

^a AIR FORCE RESEARCH LABORATORY   (United States)

^b Anteon Corporation   (United States)

Author keywords

Ionic liquids; Melting Point Prediction; QSPR; Quantitative Structure Property Relationships

Indexed keywords

IONIC LIQUIDS; MOLECULAR ORBITALS; POSITIVE IONS;

AB INITIO QUANTUM CHEMICAL METHODS; CORRELATION COEFFICIENT; ELECTROSTATIC DESCRIPTORS; GOOD CORRELATIONS; MELTING POINT PREDICTION; MOLECULAR DESIGN; MOLECULAR GEOMETRIES; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; SYNTHESISED;

MELTING POINT;

2 BROMOPROPANE; 2 ETHANOL BROMIDE; 2 ETHANOL NITRATE; 2 ETHANOL NITROCYANAMIDE; 2 PROPENYL BROMIDE; 2 PROPENYL NITRATE; 2 PROPENYL NITROCYANAMIDE; BROMINE DERIVATIVE; CATION; CYANAMIDE; ETHYL BROMIDE; ETHYL NITRATE; ETHYL NITROCYANAMIDE; ISOPROPYL NITRATE; ISOPROPYL NITROCYANAMIDE; METHYL BROMIDE; METHYL NITRATE; METHYL NITROCYANAMIDE; METHYLCYCLOPROPYL BROMIDE; METHYLCYCLOPROPYL NITRATE; METHYLCYCLOPROPYL NITROCYANAMIDE; N BUTYL BROMIDE; N BUTYL NITRATE; N BUTYL NITROCYANAMIDE; N DECYL BROMIDE; N DECYL NITRATE; N DECYL NITROCYANAMIDE; N HEPTYL BROMIDE; N HEPTYL NITRATE; N HEPTYL NITROCYANAMIDE; N HEXYL BROMIDE; N HEXYL NITRATE; N HEXYL NITROCYANAMIDE; N NONYL BROMIDE; N NONYL NITRATE; N NONYL NITROCYANAMIDE; N OCTYL BROMIDE; N OCTYL NITRATE; N OCTYL NITROCYANAMIDE; N PENTYL BROMIDE; N PENTYL NITRATE; N PENTYL NITROCYANAMIDE; N PROPYL BROMIDE; N PROPYL NITRATE; N PROPYL NITROCYANAMIDE; NITRIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFERENCE PAPER; CORRELATION COEFFICIENT; GEOMETRY; IONIC STRENGTH; LIQUID; MELTING POINT; MOLECULAR INTERACTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM CHEMISTRY;

EID: 20544477099     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200430927     Document Type: Conference Paper

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