Publications by authors named "David R Kent"

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An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations.
Daniel R Fisher, David R Kent, Michael T Feldmann, William A Goddard

J Comput Chem· November 2008

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Manager-worker-based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks.
Michael T Feldmann, Julian C Cummings, David R Kent, Richard P Muller, William A Goddard

J Comput Chem· January 2008

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Efficient algorithm for "on-the-fly" error analysis of local or distributed serially correlated data.
David R Kent, Richard P Muller, Amos G Anderson, William A Goddard, Michael T Feldmann

J Comput Chem· November 2007

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Intramolecular hydrogen bonding in disubstituted ethanes. A comparison of NH...O- and OH...O- Hydrogen bonding through conformational analysis of 4-amino-4-oxobutanoate (succinamate) and monohydrogen 1,4-butanoate (monohydrogen succinate) anions.
Mark S Rudner, Senka Jeremic, Krag A Petterson, David R Kent, Katherine A Brown

J Phys Chem A· October 2005

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Intramolecular hydrogen bonding in disubstituted ethanes: general considerations and methodology in quantum mechanical calculations of the conformational equilibria of succinamate monoanion.
Mark S Rudner, David R Kent, William A Goddard, John D Roberts

J Phys Chem A· October 2005

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Aminomethanol water elimination: theoretical examination.
Michael T Feldmann, Susanna L Widicus, Geoffrey A Blake, David R Kent, William A Goddard

J Chem Phys· July 2005

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Quantum-mechanical calculations of the stabilities of fluxional isomers of C4H(7)(+) in solution.
Joseph Casanova, David R Kent, William A Goddard, John D Roberts

Proc Natl Acad Sci U S A· January 2003

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An NMR and quantum mechanical investigation of solvent effects on conformational equilibria of butanedinitrile.
David R Kent, Neelendu Dey, Fredric Davidson, Françoise Gregoire, Krag A Petterson

J Am Chem Soc· August 2002

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An NMR and quantum-mechanical investigation of tetrahydrofuran solvent effects on the conformational equilibria of 1,4-butanedioic acid and its salts.
David R Kent, Krag A Petterson, Françoise Gregoire, Ethan Snyder-Frey, Linda J Hanely

J Am Chem Soc· April 2002

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