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Stephen A. Decker, Ph.D. - Publications

Affiliations: 
2000 University of Alberta, Edmonton, Alberta, Canada 
Area:
Organic Chemistry
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11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2002 Decker SA, Cundari TR. A quantum mechanics/molecular mechanics study of the steric influence of the PR3 spectator ligands on the energetics of ethylene insertion into the Rh-H bond of Hrh(PR3)2(CO)(η2-CH2=CH 2) New Journal of Chemistry. 26: 129-135. DOI: 10.1039/B106718D  0.339
2001 Decker SA, Klobukowski M. Benchmarking of model core potentials: application to the halogen complexes of group 4 metals. Journal of Chemical Information and Computer Sciences. 41: 1-7. PMID 11206360 DOI: 10.1021/Ci0000474  0.646
2001 Decker SA, Klobukowski M. Benchmarking of Model Core Potentials: Application to the Halogen Complexes of Group 4 Metals Journal of Chemical Information and Computer Sciences. 41: 1-7. DOI: 10.1021/ci0000474  0.638
2001 Klobukowski M, Decker SA, Lovallo CC, Cavell RG. Structure and bonding in an octahedral Li4C2 cluster, the dilithium bis {dihydrido(silylimino)phosphorano} methanide dimer. A combined DFT - AIM analysis Journal of Molecular Structure: Theochem. 536: 189-194. DOI: 10.1016/S0166-1280(00)00626-6  0.524
2001 Decker SA, Cundari TR. Hybrid QM/MM study of propene insertion into the Rh-H bond of HRh(PPh3)2(CO)(η2-CH2=CHCH 3): The role of the olefin adduct in determining product selectivity Journal of Organometallic Chemistry. 635: 132-141. DOI: 10.1016/S0022-328X(01)01065-8  0.31
1999 Decker SA, Klobukowski M. The energy barrier for CO migration in Mn2(CO)6(H2PCH2PH2)2: A PM3(tm) study Canadian Journal of Chemistry. 77: 65-73. DOI: 10.1139/V98-218  0.621
1999 Kamalesh Babu RP, McDonald R, Decker SA, Klobukowski M, Cavell RG. New Zirconium Hydrocarbyl Bis(phosphoranimino) “Pincer” Carbene Complexes Organometallics. 18: 4226-4229. DOI: 10.1021/Om9901473  0.34
1999 Kamalesh Babu RP, McDonald R, Decker SA, Klobukowski M, Cavel RG. New zirconium hydrocarbyl bis(phosphoranimino) "pincer" carbene complexes Organometallics. 18: 4226-4229.  0.57
1998 Decker SA, Klobukowski M. The first carbonyl bond dissociation energies of M(CO)5 and M(CO)4(C2H2) (M = Fe, Ru, and Os): The role of the acetylene ligand from a density functional perspective Journal of the American Chemical Society. 120: 9342-9355. DOI: 10.1021/ja981197m  0.607
1998 Decker SA, Klobukowski M, Sakai Y, Miyoshi E. Calibration and benchmarking of model core potentials: Applications to systems containing main-group elements Journal of Molecular Structure: Theochem. 451: 215-226. DOI: 10.1016/S0166-1280(98)00173-0  0.598
1997 Decker SA, Donini O, Klobukowski M. A contribution to the understanding of carbonyl migration in Mn2(CO)10 via the pairwise exchange mechanism Journal of Physical Chemistry A. 101: 8734-8740. DOI: 10.1021/Jp972355J  0.621
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