Diels-Alder reactions: An assessment of quantum chemical procedures

Journal of Chemical Physics

Volumn 106, Issue 21, 1997, Pages 8727-8732

  Barone, Vincenzo ^a   Arnaud, Roger ^b  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIV GRENOBLE ALPES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ALDEHYDES; BUTADIENE; CHEMICAL BONDS; COMPUTER SIMULATION; ETHYLENE; HYDROGEN; PERTURBATION TECHNIQUES; POLARIZATION; QUANTUM THEORY; REACTION KINETICS; THERMODYNAMICS;

CONCERTED SADDLE POINTS; DIELS-ALDER REACTION; HARTREE-FOCK LEVEL; POTENTIAL ENERGY; THIOFORMALDEHYDE;

CHEMICAL REACTIONS;

EID: 0031169923     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473933     Document Type: Article

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