Quantitative structure-property relationships and neural networks: Correlation and prediction of physical properties of pure components and mixtures from molecular structure

Fluid Phase Equilibria

Volumn 158-160, Issue , 1999, Pages 367-374

  Bunz A P ^a   Braun, B ^b   Janowsky, R ^a  

^a ExperSCience of Hüls Infracor   (Germany)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Chlorosilanes; Enthalpy of fusion; Model; Molecular simulation; Normal boiling point; QSPR

Indexed keywords

CARBON DIOXIDE; CHLORINE COMPOUNDS; COMPUTER SIMULATION; CORRELATION METHODS; ENTHALPY; EQUATIONS OF STATE; ESTERS; HYDROCARBONS; MOLECULES; NEURAL NETWORKS; PHYSICAL PROPERTIES;

CHLOROSILANES; ENTHALPY OF FUSION; MOLECULAR SIMULATION; NORMAL BOILING POINT; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIP;

MOLECULAR STRUCTURE;

CARBON DIOXIDE; ESTER; HYDROCARBON; SILANE;

CHEMICAL STRUCTURE; CONFERENCE PAPER; EMPIRICISM; ENTHALPY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM THEORY;

EID: 0033150874     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0378-3812(99)00058-8     Document Type: Article

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