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
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
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
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
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:
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
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