Comparative DFT and HF-MP2 study on structure, relative stabilities and rotational barriers of end-on (η1) and side-on (η2) (PH3)2Pd HPPH model complexes

Inorganica Chimica Acta

Volumn 273, Issue 1-2, 1998, Pages 72-75

  Russo, N ^a   Toscano, M ^a   Rizopoulos, A L ^b   Sigalas, M P ^b  

^a UNIVERSITY OF CALABRIA   (Italy)

^b ARISTOTLE UNIVERSITY OF THESSALONIKI   (Greece)

Author keywords

Palladium complexes: Diphosphene complexes; Theoretical study

Indexed keywords

DENSITY FUNCTIONAL THEORY; LIGANDS; PERTURBATION TECHNIQUES; PHOSPHORUS COMPOUNDS; QUANTUM CHEMISTRY;

DENSITY-FUNCTIONAL LEVEL; DIPHOSPHENE LIGANDS; DIPHOSPHENES; GEOMETRICAL STRUCTURE; RELATIVE STABILITIES; ROTATIONAL BARRIERS; SECOND ORDER PERTURBATION; THEORETICAL STUDY;

PALLADIUM COMPOUNDS;

EID: 0005981185     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0020-1693(97)06016-7     Document Type: Article

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