DFT-based regioselectivity criteria for cycloaddition reactions

Journal of Physical Chemistry A

Volumn 104, Issue 39, 2000, Pages 8845-8846

  Ponti, Alessandro ^a  

^a CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDS; ALKALINITY; ATOMS; CHEMICAL BONDS; ELECTRONIC PROPERTIES; PROBABILITY DENSITY FUNCTION; STABILITY; THERMODYNAMIC PROPERTIES;

ATOMIC GRAND POTENTIAL VARIATION; BOND FORMING INTERACTIONS; CYCLOADDITION REACTIONS; DENSITY FUNCTIONAL THEORY; HARD AND SOFT ACIDS AND BASES; LOCAL SOFTNESS;

ADDITION REACTIONS;

EID: 0034299220     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002279b     Document Type: Article

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