Publications by authors named "Roberto Gomperts"

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Interaction of CO molecule with Au/MOR catalyst: ONIOM-PM6 study, active sites, thermodynamic and vibrational frequencies.
Anibal Sierraalta, Rafael Añez, Lenin Diaz, Roberto Gomperts

J Phys Chem A· July 2010

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Investigation of Salt Bridge Stability in a Generalized Born Solvent Model.
Raphaël Geney, Melinda Layten, Roberto Gomperts, Viktor Hornak, Carlos Simmerling

J Chem Theory Comput· January 2006

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Molybdenum phosphide as an o-propylaniline hydrodenitrogenation catalyst: a first principles study.
Victor Milman, Björn Winkler, Roberto Gomperts

Chemistry· December 2004

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Intrinsic (gas phase) thermodynamic stability of 2-adamantyl cation. Its bearing on the solvolysis rates of 2-adamantyl derivatives.
José-Luis M Abboud, Obis Castaño, Juan Z Dávalos, Pilar Jiménez, Roberto Gomperts

J Org Chem· February 2002

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