Thermal rearrangements of 1-ethynyl-2-methylcyclopropane: A computational study

Journal of Physical Chemistry A

Volumn 116, Issue 12, 2012, Pages 3274-3281

  Bozkaya, Uǧur ^a,b   Özkan, Llker ^b  

^a ATATÜRK UNIVERSITY   (Turkey)

^b MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; AROMATIZATION REACTIONS; BASIS SETS; CCSD; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; COMPUTATIONAL RESULTS; COMPUTATIONAL STUDIES; COUPLED-CLUSTER SINGLES AND DOUBLES; DENSITY FUNCTIONAL THEORIES (DFT); MULTI REFERENCE; PERTURBATION THEORY; SECOND ORDERS; TARGET SYSTEMS; THEORETICAL INVESTIGATIONS; THERMAL REARRANGEMENT;

PHYSICAL CHEMISTRY; PHYSICS;

QUANTUM CHEMISTRY;

EID: 84859234832     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3000575     Document Type: Article

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