First-principles design of highly active and selective catalysts for phosgene-free synthesis of aromatic polyurethanes

Angewandte Chemie - International Edition

Volumn 51, Issue 17, 2012, Pages 4190-4193

  Laursen, Siris ^a   Combita, Diego ^a   Hungría, Ana B ^b   Boronat, Mercedes ^a   Corma, Avelino ^a  

^a CSIC   (Spain)

^b UNIVERSITY OF CÁDIZ   (Spain)

Author keywords

carbamoylation; crystal shape; density functional calculations; green chemistry; nanocrystals

Indexed keywords

AROMATIC AMINES; CARBAMOYLATION; CATALYST DESIGNS; CRYSTAL SHAPES; DIMETHYL CARBONATE; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GREEN CHEMISTRY; HIGH ACTIVITY; LOW ENERGIES; PHOSGENE-FREE SYNTHESIS; SELECTIVE CATALYSTS; THEORETICAL PREDICTION;

ACYLATION; CALCULATIONS; DENSITY FUNCTIONAL THEORY; NANOCRYSTALS;

CATALYSTS;

EID: 84859986499     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201108849     Document Type: Article

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