Ulises Reveles - Research

Research Projects

J.U. Reveles and G. Johnson, “Understanding the Nucleation, Growth, and Immobilization of Metal Clusters Using First Principles Theoretical Calculations and Mass Spectrometry”Environmental Molecular Sciences Laboratory (EMSL), Pacific Northwest National Laboratory (PNNL) – (Aug. 2016 – July 2018). Estimated value of in-kind support provided for the project is $78,280.
J.U. Reveles, “Implementing Delocalized Internal Coordinates in the Naval Research Laboratory Molecular Orbital Library (NRLMOL) code and building a framework for future collaborations with University of Texas el Paso (UTEP)” $12,000. (May. – Aug. 2013).

Selected Publications

Molecular Dynamics and Electronic Structure Study of Neutral, Cationic and Anionic (Fe3O4)1-5 Clusters

R. Mejia-Olvera, J.U. Reveles; S.M. Pacheco-Ortiz, J. Santoyo-Salazar

Chem. Phys. Lett., 706, 494-500, (2018).

Electronic and Structural Properties of C60 and Sc3N@C80 Supported on Graphene Nanoflakes

J.U. Reveles, N.N. Karle, T. Baruah, R.R. Zope

J. Phys. Chem. C, 120(45), 26083-26092 (2016).

Designer Magnetic Superatoms, J.U. Reveles, P. Claybone, A.C. Reber, S.N. Khanna, K. Pradhan, P. Sen, and M.R. Pederson

Nat. Chem. 1, 310 (2009). Research Highlights papers in Nature Chemistry 7, 260 (2009), and New Scientist, June 2009.

Featured on the Physorg., Sciencedaily, and more than 200 other websites.

H₂O Nucleation around Au⁺, J.U. Reveles, P. Calaminici, M.R. Beltrán, A.M. Köster, and S.N. Khanna

J. Am. Chem. Soc., 129, 15565 (2007). Research Highlights paper in Nature Physics 4, 9 (2008).

Experimental and Theoretical Study of the Structure and Reactivity of Fe(_1-2)O(_1-6)^- Clusters with CO, N.M. Reilly, J.U. Reveles, G.E. Johnson, S.N. Khanna, and A.W. Castleman Jr.

J. Phys. Chem. A, 111, 4158 (2007).

Multiple Valence Superatoms, J. U. Reveles, S. N. Khanna, P.J. Roach, and A.W. Castleman Jr.

Proc. Natl. Acad. Sci. 103, 18405 (2006).

Research Highlights papers in C&EN News 2006, Nov. 21, and Nature Materials 2006, Nov. 23.