@article {2165, title = {An efficient mapped pseudospectral method for weakly bound states: vibrational states of He-2, Ne-2, Ar-2 and Cs-2}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {41}, number = {18}, year = {2008}, note = {ISI Document Delivery No.: 347PITimes Cited: 2Cited Reference Count: 54Lo, Joseph Q. W. Shizgal, Bernie D.}, month = {Sep}, pages = {13}, type = {Article}, abstract = {This paper reports the application of pseudospectral methods to the calculation of the bound states of He-2, Ne-2, Ar-2 and Cs-2. The calculation of the uppermost loosely bound states, only one for He-2, presents a challenge for most numerical methods. We employ the quadrature discretization method which is a collocation based on quadrature points defined with weight functions that approximate the ground states. A mapping procedure is proposed that greatly improves the convergence of the uppermost states that are very loosely bound and characterized by very diffuse eigenfunctions. Comparisons with the results with other methods and experiment are also carried out wherever possible.}, keywords = {BASIS FUNCTIONS, DIATOMIC-MOLECULES, DIMERS, DISCRETE, HELIUM DIMER, LAGRANGE-MESH METHOD, LONG-RANGE MOLECULES, NONCLASSICAL, QUADRATURE DISCRETIZATION METHOD, QUANTUM-MECHANICAL PROBLEMS, RARE-GAS, ULTRAVIOLET-LASER SPECTROSCOPY, VARIABLE REPRESENTATION}, isbn = {0953-4075}, url = {://000259153100008}, author = {Lo, J. Q. W. and Shizgal, B. D.} } @article {3247, title = {SYNTHESIS AND CHARACTERIZATION OF DINUCLEAR PALLADIUM COMPLEXES WITH BRIDGING SELENIDE OR SELENOXIDE LIGANDS, INCLUDING X-RAY CHARACTERIZATION OF ANTI-PD2CL2(MU-SE)(MU-DPMME)(2) [DPMME=1,1-BIS(DIPHENYLPHOSPHINO)ETHANE]}, journal = {Inorganic Chemistry}, volume = {34}, number = {24}, year = {1995}, note = {ISI Document Delivery No.: TF982Times Cited: 12Cited Reference Count: 41}, month = {Nov}, pages = {6118-6123}, type = {Article}, abstract = {{The complexes Pd2Cl2(P-P)(2), where (P-P) = mu-bis(diphenylphosphino)methane, dpm, or mu-1,1-bis(diphenylphosphino)ethane, dpmMe, react with elemental selenium to give the A-frame adducts Pd2Cl2(mu-Se)(P-P)(2), which can be oxidized by t-BuOOH to the mu-SeO derivatives. Reaction of H2Se with Pd2Cl2(dpm)(2) generates Pd(2)Ch(2-n)-(SeH)(n)(mu-Se)(dpm)(2) species (n = 0-2). anti-Pd2Cl2(mu-Se)(dpmMe)(2) (2d) crystallizes in the monoclinic space group P2(1)/c with a = 11.986(2) Angstrom}, keywords = {1, 1-bis(diphenylphosphino)ethane, 2-(DIPHENYLPHOSPHINO)PYRIDINE, BIS(DIPHENYLPHOSPHINO)METHANE DPM, CARBON-MONOXIDE, CHEMISTRY, CRYSTAL-STRUCTURES, DIHYDROGEN, DIMERS, HYDROGEN-SULFIDE, METAL-METAL BONDS}, isbn = {0020-1669}, url = {://A1995TF98200024}, author = {Besenyei, G. and Parkanyi, L. and Simandi, L. I. and James, Brian R.} } @article {3204, title = {INSERTION REACTION OF DIMETHYLACETYLENEDICARBOXYLATE WITH THE HEAD-TO-TAIL ISOMER OF PT2I2(MU-PPY3)2 PPY3=TRIS(2-PYRIDYL)PHOSPHINE}, journal = {Inorganica Chimica Acta}, volume = {217}, number = {1-2}, year = {1994}, note = {ISI Document Delivery No.: NA902Times Cited: 9Cited Reference Count: 15}, month = {Mar}, pages = {209-212}, type = {Note}, abstract = {The head-to-tail (HT) isomer of Pt2I2(mu-Ppy3)2 (3), where py=2-pyridyl, is made by reaction of NaI with the chloro analogue (2), which it itself synthesized via a conproportionation reaction of a Pt(0) complex and cis-PtCl2(mu-PPY3)2 (1). Complex 1 is formed by reacting appropriate Pt(II) precursors with Ppy3. Dimethylacetylenedicarboxylate (DMAD) inserts into the Pt-Pt bond of 3 to give the A-frame species HT-Pt2I2(mu-PpY3)2(mu-DMAD) (4); the reaction is kinetically first-order in both [3] and [DMAD], and the activation parameters (DELTAH(not-equal) = 38 kJ mol-1, DELTAS(not-equal) = -138 J mol-1 K-1) are consistent with a concerted process involving a four-centre transition state. Complexes 1-4 are characterized by elemental analyses and (P{H})P-31-H-1 and (Pt{H})-Pt-195-H-1 NMR spectroscopy.}, keywords = {ALKYNE COMPLEXES, bis(diphenylphosphino)methane, COMPLEXES, DIMERS, DINUCLEAR, INSERTION REACTION, KINETICS, LIGANDS, PLATINUM COMPLEXES}, isbn = {0020-1693}, url = {://A1994NA90200032}, author = {Xie, L. Y. and James, Brian R.} } @article {2951, title = {SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF (NEOPENTYL)(OCTAETHYLPORPHYRINATO)RUTHENIUM COMPLEXES, INCLUDING [RU(OEP)NP]2(MU-LI)2}, journal = {Organometallics}, volume = {13}, number = {7}, year = {1994}, note = {ISI Document Delivery No.: NW037Times Cited: 21Cited Reference Count: 26}, month = {Jul}, pages = {2542-2544}, type = {Note}, abstract = {Reaction of neopentyllithium (LiNp) with the octaethylporphyrin complex Ru(OEP)Cl2 yields Ru-(OEP)Np (1), which can be treated with further LiNp to give [Ru(OEP)Np]2(mu-Li)2 (2). The structures of 1 (the first for an iron-group metalloporphyrin alkyl) and the more remarkable 2, revealing two Li atoms sandwiched between metalloporphyrin moieties, are determined.}, keywords = {CHEMISTRY, CRYSTAL-STRUCTURE, DIMERS, lithium, OXIDATION, REACTIVITY, REDOX, TETRAVALENT RUTHENIUM PORPHYRIN}, isbn = {0276-7333}, url = {://A1994NW03700002}, author = {Alexander, C. S. and Rettig, S. J. and James, Brian R.} }