On the catalytic effect of water in the intramolecular diels-alder reaction of quinone systems: A theoretical study

Molecules

Volumn 17, Issue 11, 2012, Pages 13687-13703

  Jorge, Soto Delgado ^a   Aizman, Arie ^b   Contreras, Renato ^a   Domingo, Luis R ^c  

^a UNIVERSITY OF CHILE   (Chile)

^b DEPARTAMENTO DE FÍSICA   (Chile)

^c UNIVERSITY OF VALENCIA   (Spain)

Author keywords

DFT reactivity indices; Intramolecular Diels Alder reactions; Local reactivity difference index; Polar Diels Alder reactions; Water catalysis

Indexed keywords

DITERPENE; QUINONE DERIVATIVE; WATER;

ALGORITHM; ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CYCLOADDITION; HYDROGEN BOND; QUANTUM THEORY; SYNTHESIS; THERMODYNAMICS;

ALGORITHMS; CATALYSIS; COMPUTER SIMULATION; CYCLOADDITION REACTION; DITERPENES; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; QUINONES; THERMODYNAMICS; WATER;

EID: 84870211341     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules171113687     Document Type: Article

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