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Results: 5

Authors: Gherman, BF Dunietz, BD Whittington, DA Lippard, SJ Friesner, RA
Citation: Bf. Gherman et al., Activation of the C-H bond of methane by intermediate Q of methane monoozygenase: A theoretical study, J AM CHEM S, 123(16), 2001, pp. 3836-3837

Authors: Friesner, RA Dunietz, BD
Citation: Ra. Friesner et Bd. Dunietz, Large-scale ab initio quantum chemical calculations on biological systems, ACC CHEM RE, 34(5), 2001, pp. 351-358

Authors: Dunietz, BD Beachy, MD Cao, YX Whittington, DA Lippard, SJ Friesner, RA
Citation: Bd. Dunietz et al., Large scale ab initio quantum chemical calculation of the intermediates inthe soluble methane monooxygenase catalytic cycle, J AM CHEM S, 122(12), 2000, pp. 2828-2839

Authors: Friesner, RA Murphy, RB Beachy, MD Ringnalda, MN Pollard, WT Dunietz, BD Cao, YX
Citation: Ra. Friesner et al., Correlated ab initio electronic structure calculations for large molecules, J PHYS CH A, 103(13), 1999, pp. 1913-1928

Authors: Dunietz, BD Murphy, RB Friesner, RA
Citation: Bd. Dunietz et al., Calculation of atomization energies by a multiconfigurational localized perturbation theory - Application for closed shell cases, J CHEM PHYS, 110(4), 1999, pp. 1921-1930
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