Reinvestigation of intramolecular hydrogen bond in malonaldehyde derivatives: An ab initio, AIM and NBO study

International Journal of Quantum Chemistry

Volumn 111, Issue 12, 2011, Pages 3040-3047

  Nowroozi, A ^a   Raissi, H ^b   Hajiabadi, H ^a   Jahani, P Mohammadzadeh ^a  

^a UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

^b UNIVERSITY OF BIRJAND   (Iran)

Author keywords

ab initio; AIM; intramolecular hydrogen bond; malonaldehyde derivatives; NBO

Indexed keywords

AB INITIO; AIM; INTRAMOLECULAR HYDROGEN BOND; MALONALDEHYDE; NBO;

ALDEHYDES; CARRIER CONCENTRATION; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONIC DENSITY OF STATES; HYDROGEN; ION EXCHANGE; QUANTUM COMPUTERS; QUANTUM THEORY; TOPOLOGY;

HYDROGEN BONDS;

EID: 79957606260     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22635     Document Type: Article

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