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Results:
1-17
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Results: 17
Authors:
Pavao, AC
Taft, CA
Guimaraes, TCF
Leao, MBC
Mohallem, JR
Lester, WA
Citation: Ac. Pavao et al., Interdisciplinary applications of Pauling's metallic orbital and unsynchronized resonance to problems of modern physical chemistry: Conductivity, magnetism, molecular stability, superconductivity, catalysis, photoconductivity, and chemical reactions, J PHYS CH A, 105(1), 2001, pp. 5-11
Authors:
Krokidis, X
Moriarty, NW
Lester, WA
Frenklach, M
Citation: X. Krokidis et al., A quantum Monte Carlo study of energy differences in C4H3 and C4H5 isomers, INT J CH K, 33(12), 2001, pp. 808-820
Authors:
Lester, WA
Citation: Wa. Lester, Research developments and progress during the nineties, J MOL ST-TH, 573, 2001, pp. 55-62
Authors:
Xiao, C
Hagelberg, F
Ovcharenko, I
Lester, WA
Citation: C. Xiao et al., Geometric structures and stabilities of CuSin clusters (n=8, 10, 12), J MOL ST-TH, 549, 2001, pp. 181-192
Authors:
Barnett, RN
Sun, ZW
Lester, WA
Citation: Rn. Barnett et al., Improved trial wave functions in quantum Monte Carlo: Application to acetylene and its dissociation fragments, J CHEM PHYS, 114(5), 2001, pp. 2013-2021
Authors:
Ovcharenko, IV
Lester, WA
Xiao, C
Hagelberg, F
Citation: Iv. Ovcharenko et al., Quantum Monte Carlo characterization of small Cu-doped silicon clusters: CuSi4 and CuSi6, J CHEM PHYS, 114(20), 2001, pp. 9028-9032
Authors:
Ovcharenko, I
Aspuru-Guzik, A
Lester, WA
Citation: I. Ovcharenko et al., Soft pseudopotentials for efficient quantum Monte Carlo calculations: FromBe to Ne and Al to Ar, J CHEM PHYS, 114(18), 2001, pp. 7790-7794
Authors:
Almeida, AL
Martins, JBL
Longo, E
Furtado, NC
Taft, CA
Sambrano, JR
Lester, WA
Citation: Al. Almeida et al., Theoretical study of MgO(001) surfaces: Pure, doped with Fe, Ca, and Al, and with and without adsorbed water, INT J QUANT, 84(6), 2001, pp. 705-713
Authors:
Harkless, JAW
Lester, WA
Citation: Jaw. Harkless et Wa. Lester, Quantum Monte Carlo determination of the atomization energy and heat of formation of propargyl radical, J CHEM PHYS, 113(7), 2000, pp. 2680-2683
Authors:
Lester, WA
Hull, DR
Fegan, CD
Morris, TCM
Citation: Wa. Lester et al., Respiratory failure during induction chemotherapy for acute myelomonocyticleukaemia (FAB M4Eo) with Ara-C and all-trans retinoic acid, BR J HAEM, 109(4), 2000, pp. 847-850
Authors:
Grossman, JC
Lester, WA
Louie, SG
Citation: Jc. Grossman et al., Quantum Monte Carlo and density functional theory characterization of 2-cyclopentenone and 3-cyclopentenone formation from O(P-3) plus cyclopentadiene, J AM CHEM S, 122(4), 2000, pp. 705-711
Authors:
Pavao, AC
Guimaraes, TCF
Lie, SK
Taft, CA
Lester, WA
Citation: Ac. Pavao et al., Modeling the adsorption and dissociation of CO on transition metal surfaces, THEOCHEM, 458(1-2), 1999, pp. 99-121
Authors:
Guimaraes, TC
Pavao, AC
Taft, CA
Lester, WA
Citation: Tc. Guimaraes et al., Dissociation of N-2 on chromium alloys: A general mechanism for dissociation of diatomic molecules, PHYS REV B, 60(16), 1999, pp. 11789-11794
Authors:
Taft, CA
Guimaraes, TC
Pavao, AC
Lester, WA
Citation: Ca. Taft et al., Adsorption and dissociation of diatomic molecules on transition-metal surfaces, INT R PH CH, 18(2), 1999, pp. 163-233
Authors:
Grossman, JC
Lester, WA
Louie, SG
Citation: Jc. Grossman et al., Cyclopentadiene stability: quantum Monte Carlo, coupled cluster, and density functional theory determinations, MOLEC PHYS, 96(4), 1999, pp. 629-632
Authors:
Almeida, AL
Martins, JBL
Taft, CA
Longo, E
Lester, WA
Citation: Al. Almeida et al., Theoretical study of water coverage on MgO surfaces, INT J QUANT, 71(2), 1999, pp. 153-165
Authors:
Krokidis, X
Moriarty, NW
Lester, WA
Frenklach, M
Citation: X. Krokidis et al., Propargyl radical: an electron localization function study, CHEM P LETT, 314(5-6), 1999, pp. 534-542
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