Browsing by Author "Hall, Michael B."
Now showing items 21-40 of 51
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Moncada, Adriana I. (2011-08-08)Biodegradable aliphatic polycarbonates are important components of non-toxic thermoplastic elastomers, which have a variety of medical applications. Industrially, aliphatic polycarbonates derived from six-membered cyclic ...
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Williamson, Rodney Lowell (Texas A&M University. Libraries, 1989)Total geometry optimizations are reported for Cr(CO)₆ , HMn(CO)₅ , Fe(CO)₅ , Ni(CO)₄ , Cr(C₆H₆)₂, Fe(C₅H₅)₂ , Ni(C₄H₄)₂, Cr(NO)₄, (C₅H₅)Mn(CO )₃, and (C₆H₆)Cr(CO)₃ . A variety of basis sets were examined, and, based on the ...
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Davy, Randall Dean (Texas A&M University. Libraries, 1988)Ab initio Hartree-Fock-Roothaan self-consistent-field (HFR-SCF) and generalized valence bond (GVB) geometry optimizations are used to study problems that are inaccessible to experiment. The theoretically determined molecular ...
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Shimazu, Shog (Texas A&M University. Libraries, 1983)Characterization of methyl(tri-n-butylphosphine)silver{I} (1), lithium{dimethyl(tri-n-butylphosphine)silver{I}} (2), and dilithium{trimethyl(tri-n-butylphosphine)silver{I}} (3) by ('1)H, ('7)Li, ('13)C, and ('31)P NMR ...
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Sherwood, David Edward (Texas A&M University. Libraries, 1981)The interaction coordinates of chromium hexacarbonyl were quantitatively predicted by the overlap populations from Fenske-Hall molecular orbital (FHMO) calculations. The trans effect, in the interaction coordinates, was ...
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Wei, Zhangwen (2014-04-18)Metal-organic frameworks (MOFs) are newly emerged porous materials. These inorganic-organic hybrid materials have diverse crystalline structures, high surface areas, and large porosities. This dissertation is focusing on ...
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Liu, Tianbiao (2011-02-22)My research primarily focuses on biomimetics of the active sites of the [FeFe]- and [Fe]-hydrogenases (H2ase) and is classified into three parts. Part A: The one-electron oxidation of asymmetrically disubstituted FeIFeI ...
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Weatherford, David Allen (Texas A&M University. Libraries, 1989)Diphenylphosphine functionalized ethylene oligomers were used as supports for palladium(0) and palladium(II) catalysts. An advantage of using these ethylene oligomer ligated catalysts was their temperature dependent ...
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Hsieh, Chung-Hung; Ding, Shengda; Erdem, Özlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y. (Nature Communications, 2014)
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Longridge, Elisabeth M. (Texas A&M University. Libraries, 1993)Heterobimetallics of the form (L2)CuCo(CO)4 were found to be catalyst precursors for the decarboxylation of NCCH2CO2H. The rate of decarboxylation is affected by the donating ability of the L2 ligand, i.e., more basic ...
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Slaton, James Garrett (2009-05-15)Peptide synthesis and metal doping, combined with mass spectrometric and ion mobility spectrometric techniques, have provided a picture of the fragmentation behavior of a large field of homologous peptide ions, represented ...
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Xu, Zhenggang (2014-07-25)This dissertation presents the results from density functional theory (DFT) calculations on three major projects I have been working on over the past several years. The first system is focused on the structure and reactivity ...
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Jenkins, Roxanne Michelle (2011-08-08)As inspired by the coordination environment of nickel in NikR and NiSOD, imidazole ligands were incorporated into N2SNiII square planar complexes in order to investigate the electronic and structural features of NiII species ...
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Kinnibrugh, Tiffany Lewis (2013-07-26)This dissertation focuses on the challenge of developing porous metal arylphosphonates with both high crystallinity and functional porosity by using different synthetic approaches. Metal phosphonates are an extensive class ...
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Ng, Chiu Yue (Texas A&M University. Libraries, 1982)The synthesis of a series of new binucleating ligands, 1,4-bis(2'-(3''-azapropyl)-2',5'-diazapentyl)benzene (PXBDE), 1,4-bis(2',5',8'-triazaoctyl)benzene (PXBEN), 1,4-bis-(2',5',8',11'-tetraazaundecyl) benzene (PXTRIEN), ...
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Wang, Wennin (Texas A&M University. Libraries, 1983)Dichromium(II) compounds are unique among metal-metal quadruply bonded systems in the range of metal-metal distances they display and in the tendency of the metal atoms in neutral molecules to bind axial ligands. X-ray ...
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Kim, Youngmin (2011-10-21)Due to favorable Coulombic effects, cationic main group Lewis acids should be more Lewis acidic than their neutral counterparts. To investigate this idea, this dissertation has been dedicated to the synthesis, characterization ...
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Poteat, Jerry Louis (Texas A&M University. Libraries, 1991)Ethylene oligomers functionalized at their terminus with metal carboxylates were prepared. These oligomers were used to study ligation of metals by soluble metal carboxylates. They were also used to study chemistry at ...
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Marler, David Owe (Texas A&M University. Libraries, 1984)Only in the past decade have trimers of the early transition metals been observed. In these clusters the metal atoms are in their higher oxidation states and are bound to simple electron donating ligands. Compounds of this ...
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Wang, Qingsheng (2011-10-21)Reactive chemicals are presented widely in the chemical and petrochemical process industry. Their chemical reactivity hazards have posed a significant challenge to the industries of manufacturing, storage and transportation. ...