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Results: 1-10 |
Results: 10
Addition of polarization and diffuse functions to the LANL2DZ basis set for p-block elements
Authors: Check, CE Faust, TO Bailey, JM Wright, BJ Gilbert, TM Sunderlin, LS
Citation: Ce. Check et al., Addition of polarization and diffuse functions to the LANL2DZ basis set for p-block elements, J PHYS CH A, 105(34), 2001, pp. 8111-8116
Comparison between oxidative addition and sigma-bond metathesis as possible mechanisms for the Catalytica methane activation process by platinum(II) complexes: A density functional theory study
Authors: Gilbert, TM Hristov, I Ziegler, T
Citation: Tm. Gilbert et al., Comparison between oxidative addition and sigma-bond metathesis as possible mechanisms for the Catalytica methane activation process by platinum(II) complexes: A density functional theory study, ORGANOMETAL, 20(6), 2001, pp. 1183-1189
Dimerization of diboradiazacyclobutadienes to form tetraboratetraazacyclooctatetraenes: Computational study of boron-nitrogen ring formation and ringopening
Authors: Gilbert, TM Gailbreath, BD
Citation: Tm. Gilbert et Bd. Gailbreath, Dimerization of diboradiazacyclobutadienes to form tetraboratetraazacyclooctatetraenes: Computational study of boron-nitrogen ring formation and ringopening, ORGANOMETAL, 20(22), 2001, pp. 4727-4733
Rails west (Construction of the Central and Union Pacific Railroads)
Authors: Gilbert, TM
Citation: Tm. Gilbert, Rails west (Construction of the Central and Union Pacific Railroads), AM HERITAGE, 52(1), 2001, pp. 8-8
Ab initio computational studies of heterocycloalkynes: Structures, naturalbond orders, ring strain energies, and isomerizations of cyclic iminoboranes and iminoalanes
Authors: Gilbert, TM
Citation: Tm. Gilbert, Ab initio computational studies of heterocycloalkynes: Structures, naturalbond orders, ring strain energies, and isomerizations of cyclic iminoboranes and iminoalanes, ORGANOMETAL, 19(6), 2000, pp. 1160-1165
CAChe: Computer-aided chemistry for Macintosh and Windows. Version 3.2 forWindows; Version 4.1 or Macintosh.
Authors: Check, CE Gilbert, TM
Citation: Ce. Check et Tm. Gilbert, CAChe: Computer-aided chemistry for Macintosh and Windows. Version 3.2 forWindows; Version 4.1 or Macintosh., J AM CHEM S, 122(39), 2000, pp. 9566-9567
Prediction of Pt-195 NMR chemical shifts by density functional theory computations: The importance of magnetic coupling and relativistic effects in explaining trends
Authors: Gilbert, TM Ziegler, T
Citation: Tm. Gilbert et T. Ziegler, Prediction of Pt-195 NMR chemical shifts by density functional theory computations: The importance of magnetic coupling and relativistic effects in explaining trends, J PHYS CH A, 103(37), 1999, pp. 7535-7543
Structures of homoleptic triply bonded M-2(OR)(6) compounds where the alkoxide is tertiary: the effect of steric bulk and alkoxide conformation on structural parameters
Authors: Gilbert, TM Bauer, CB Bond, AH Rogers, RD
Citation: Tm. Gilbert et al., Structures of homoleptic triply bonded M-2(OR)(6) compounds where the alkoxide is tertiary: the effect of steric bulk and alkoxide conformation on structural parameters, POLYHEDRON, 18(8-9), 1999, pp. 1293-1301
Syntheses and structures of metal-metal triply bonded M2R6 compounds: consideration of starting materials, stability, and structural parameters
Authors: Gilbert, TM Bauer, CB Rogers, RD
Citation: Tm. Gilbert et al., Syntheses and structures of metal-metal triply bonded M2R6 compounds: consideration of starting materials, stability, and structural parameters, POLYHEDRON, 18(8-9), 1999, pp. 1303-1310
Ab initio studies of pericyclic reactions of aminoboranes. [2+2] dimerization and [4+2] Diels-Alder reactions of H2BNH2, Me2BNMe2, and (F3C)(2)BNMe2
Authors: Gilbert, TM
Citation: Tm. Gilbert, Ab initio studies of pericyclic reactions of aminoboranes. [2+2] dimerization and [4+2] Diels-Alder reactions of H2BNH2, Me2BNMe2, and (F3C)(2)BNMe2, ORGANOMETAL, 17(25), 1998, pp. 5513-5520
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