Theory, experiment and unusual features of potential energy surfaces of pericyclic and pseudopericyclic reactions with sequential transition structures

Current Organic Chemistry

Volumn 14, Issue 15, 2010, Pages 1658-1668

  Birney, David Martin ^a  

^a TEXAS TECH UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Bifurcations; Bis pericyclic reactions; Density functional calculations; Monkey saddle points; Nonstatistical effects; Pericyclic reactions; Potential energy surfaces; Pseudopericyclic reactions; Reaction path corners; Reaction paths; Sequential transition states; Transition states; Transition structures; Valley ridge inflection points

Indexed keywords

COMPUTATION THEORY; MOLECULAR PHYSICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SURFACE REACTIONS;

AB INITIO CALCULATIONS; BIFURCATION; BIS-PERICYCLIC REACTION; DENSITY-FUNCTIONAL CALCULATIONS; INFLEXION POINT; MONKEY SADDLE POINT; NONSTATISTICAL EFFECT; PERICYCLIC REACTION; POTENTIAL-ENERGY SURFACES; PSEUDOPERICYCLIC REACTION; REACTION PATH CORNER; REACTION PATHS; SADDLE POINT; SEQUENTIAL TRANSITION STATE; TRANSITION STATE; TRANSITION STRUCTURES; VALLEY-RIDGE INFLECTION POINT;

POTENTIAL ENERGY SURFACES;

EID: 77956437041     PISSN: 13852728     EISSN: None     Source Type: Journal    
DOI: 10.2174/138527210793563260     Document Type: Article

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