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Volumn , Issue 33, 2005, Pages 4196-4198

Palladium(0) alkyne complexes as active species: A DFT investigation

Author keywords

[No Author keywords available]

Indexed keywords

ALKYNE DERIVATIVE; LIGAND; PALLADIUM COMPLEX;

EID: 25144513411     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b507784b     Document Type: Article
Times cited : (24)

References (20)
  • 7
    • 0030180875 scopus 로고    scopus 로고
    • DFT calculations made with the Jaguar 4.2 program package from Schrödinger Inc., Portland, Oregon: http://www.schrodinger.com. All the calculations were performed at the B3LYP/LACVP* level. The geometries were fully optimized in solvent, simulated with the PB-SCRF model: B. Marten, K. Kim, C. Cortis, R. A. Friesner, R. B. Murphy, M. N. Ringnalda, D. Sitkoff and B. Honig, J. Phys. Chem., 1996, 100, 11775. The parameters were set to ε 38 probe radius = 2.47982 to simulate DMF.
    • (1996) J. Phys. Chem. , vol.100 , pp. 11775
    • Marten, B.1    Kim, K.2    Cortis, C.3    Friesner, R.A.4    Murphy, R.B.5    Ringnalda, M.N.6    Sitkoff, D.7    Honig, B.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.