Theoretical study of hydrogen bonding interactions on MDI-based polyurethane

Journal of Molecular Modeling

Volumn 16, Issue 8, 2010, Pages 1391-1399

  Zhang, Cuili ^a   Hu, Jinlian ^a   Chen, Shaojun ^a   Ji, Fenglong ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

Author keywords

4,4' diphenylmethane diisocyanate; Density functional theory; Hydrogen bonding; Interaction

Indexed keywords

CARBONYL DERIVATIVE; DIPHENYLMETHANE 4,4' DIISOCYANATE; ESTER DERIVATIVE; HYDROGEN; NITROGEN; OXYGEN; POLYURETHAN;

ARTICLE; DENSITY FUNCTIONAL THEORY; DIPOLE; ELECTRON TRANSPORT; FOURIER ANALYSIS; GEOMETRY; HYDROGEN BOND; INFRARED SPECTROSCOPY; MOLECULAR INTERACTION; PREDICTION; PRIORITY JOURNAL; THEORETICAL STUDY; THERMAL ANALYSIS;

HYDROGEN BONDING; ISOCYANATES; MODELS, MOLECULAR; POLYURETHANES; SPECTROPHOTOMETRY, INFRARED; TEMPERATURE;

EID: 77955773379     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0645-4     Document Type: Article

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