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Journal of Chemical Physics

Volumn 115, Issue 9, 2001, Pages 4030-4040

Oxidative addition of Pd to C-H, C-C and C-Cl bonds: Importance of relativistic effects in DFT calculations

(2) Diefenbach, Axel a Bickelhaupt, F Matthias b

a PHILIPPS UNIVERSITY MARBURG (Germany)

b VU UNIVERSITY AMSTERDAM (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADDITION REACTIONS; CHEMICAL BONDS; ENTHALPY; OXIDATION; PALLADIUM; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY (DFT);

QUANTUM THEORY;

EID: 0035448720 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1388040 Document Type: Article

Times cited : (137)

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