@article {2169,
	title = {Serendipitous syntheses of Rh(H)(2)Cl(PRPh2)(3) complexes, and their crystal structures, where R = Me, Cy (cyclohexyl)},
	journal = {Inorganica Chimica Acta},
	volume = {361},
	number = {7},
	year = {2008},
	note = {ISI Document Delivery No.: 304ETTimes Cited: 4Cited Reference Count: 40Lorenzini, Fabio Patrick, Brian O. James, Brian R.},
	month = {May},
	pages = {2123-2130},
	type = {Article},
	abstract = {Reactions of RhCl(cod)(THP) (cod = 1,5-cyclooctadiene; THP = P(CH2OH)(3)) with PMePh2 or PCyPh2 (Cy = cyclohexyl) in acetone/MeOH solution under H-2 surprisingly form the complexes cis,mer-Rh(H)Cl-2(PRPh2)(3) (R = Me or Cy); both complexes are characterized by crystallography (the first structures in which the hydride ligands of such dihydrido-chloro-trisphosphine complexes have been located), and by detailed H-1 and P-31 NMR spectroscopy. The key role of the THP in the observed chemistry is discussed. (C) 2007 Elsevier B.V. All rights reserved.},
	keywords = {CRYSTALLOGRAPHY, ETHYLENE, EXCHANGE, HOMOGENEOUS CATALYTIC HYDROGENATION, hydride, hydride complexes, NMR, PARAHYDROGEN-INDUCED POLARIZATION, PHOSPHINE COMPLEXES, rhodium, RHODIUM(I), SPECTROSCOPY, TERTIARY PHOSPHINES, WATER, WILKINSONS CATALYST},
	isbn = {0020-1693},
	url = {<Go to ISI>://000256093500040},
	author = {Lorenzini, F. and Patrick, B. O. and James, Brian R.}
}
@article {2197,
	title = {trans-Disubstituted diamido/diamine cyclam zirconium complexes},
	journal = {Inorganic Chemistry Communications},
	volume = {11},
	number = {10},
	year = {2008},
	note = {ISI Document Delivery No.: 367KCTimes Cited: 6Cited Reference Count: 24Munha, Rui F. Alves, Luis G. Maulide, Nuno Duarte, M. Teresa Marko, Istvan E. Fryzuk, Michael D. Martins, Ana M.},
	month = {Oct},
	pages = {1174-1176},
	type = {Article},
	abstract = {The reaction of H-2[1,8-dibenzyl-1,4,8,11-tetraazacyclotetradecanel (H(2)Bn(2)CYclam) with 2 equiv of LiBu gives Li(2)Bn(2)Cyclam(L)2 (L = Et2O or THF) that reacts with ZrCl4(THF)(2) to afford (Bn(2)Cyclam)ZrCl2 in 40\% yield. Alternatively (Bn(2)Cyclam)ZrCl2 may be obtained via ZrCl2(CH2SiMe3)(2)(Et2O)(2) in a significantly higher yield (87\%), avoiding the lithiation of H(2)Bn(2)Cyclam. The syntheses of other H-2*Bn(2)CYClaM ligand precursors (*Bn = 3,5-dimethylbenzyl and 3,5-di(tert-butyl)benzyl) and the corresponding Zr derivatives ({3,5-Me2Bn}(2)-Cyclam)ZrCl2 and ({3,5-(Bu2Bn)-Bu-t}(2)-Cyclam)ZrCl2 are also reported. Results on preliminary tests of E-caprolactone and ethylene polymerisation reactions are presented. (C) 2008 Elsevier B.V. All rights reserved.},
	keywords = {amido ligands, CATALYSTS, CHEMISTRY, CONTAIN, Cyclam, epsilon-Caprolactone polymerisation, ETHYLENE, HAFNIUM COMPLEXES, LIGANDS, macrocycles, OLEFIN POLYMERIZATION, polymerisation, Tetraazamacrocycles, TITANIUM COMPLEXES, ZIRCONIUM},
	isbn = {1387-7003},
	url = {<Go to ISI>://000260549900019},
	author = {Munha, R. F. and Alves, L. G. and Maulide, N. and Duarte, M. T. and Marko, I. E. and Fryzuk,Michael D. and Martins, A. M.}
}
@article {1466,
	title = {Ozonization at the vacancy defect site of the single-walled carbon nanotube},
	journal = {J. Phys. Chem. B},
	volume = {110},
	number = {26},
	year = {2006},
	note = {ISI Document Delivery No.: 058DSTimes Cited: 11Cited Reference Count: 52},
	month = {Jul},
	pages = {13037-13044},
	type = {Article},
	abstract = {<p>The ozonization at the vacancy defect site of the single-walled carbon nanotube has been studied by static quantum mechanics and atom-centered density matrix propagation based ab initio molecular dynamics within a two-layered ONIOM approach. Among five different reaction pathways at the vacancy defect, the reaction involving the unsaturated active carbon atom is the most probable pathway, where ozone undergoes fast dissociation at the active carbon atom at 300 K. Complementary to the experiments, our work provides a microscopic understanding of the ozonization at the vacancy defect site of the single-walled carbon nanotube.</p>},
	keywords = {AB-INITIO, DENSITY-MATRIX, ETHYLENE, FULLERENE, GAUSSIAN-ORBITALS, INITIO MOLECULAR-DYNAMICS, MECHANICS, OXYGEN, OZONE ADSORPTION, SIDEWALLS},
	isbn = {1520-6106},
	url = {<Go to ISI>://000238645700035},
	author = {Liu, L. V. and Tian, W. Q. and Y. A. Wang*}
}
