Cyclopolymerization reactions of diallyl monomers: Exploring electronic and steric effects using DFT reactivity indices

Journal of Physical Chemistry A

Volumn 113, Issue 30, 2009, Pages 8704-8711

  Uǧur, Ilke ^a   De Vleeschouwer, Freija ^b   Tüzün, Nurcan ^c   Aviyente, Viktorya ^a   Geerlings, Paul ^b   Liu, Shubin ^d   Ayers, Paul W ^e   De Proft, Frank ^b  

^a BOGAZICI UNIVERSITY   (Turkey)

^b VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^c ISTANBUL TECHNICAL UNIVERSITY   (Turkey)

^d UNIVERSITY OF NORTH CAROLINA   (United States)

^e MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; CYCLIZATION REACTIONS; CYCLOPOLYMERIZATION; DESCRIPTOR; DESCRIPTORS; ENERGY PARTITIONING; FUKUI FUNCTIONS; REACTIVITY INDICES; SPIN DENSITIES; SPIN-POLARIZED; STEREOELECTRONIC EFFECT; STERIC EFFECT;

CYCLIZATION; FREE RADICALS; MONOMERS; PROBABILITY DENSITY FUNCTION; REGIOSELECTIVITY; SPIN DYNAMICS;

ACTIVATION ENERGY;

ALLYL COMPOUND; POLYMER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CYCLIZATION; ELECTRON; STEREOISOMERISM; SYNTHESIS; THERMODYNAMICS;

ALLYL COMPOUNDS; COMPUTER SIMULATION; CYCLIZATION; ELECTRONS; MODELS, CHEMICAL; POLYMERS; STEREOISOMERISM; THERMODYNAMICS;

EID: 67651152770     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903371b     Document Type: Article

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