selected publications
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academic article
- Host-Guest Interactions between Calixarenes and Cp2NbCl2. Journal of Organometallic Chemistry. 696:2519. 2011
- Vectorized ferrocenes with estrogens and vitamin D2: synthesis, cytotoxic activity and docking studies. Dalton Transactions. 40:9957. 2011
- Molecular dinamic study of subtilisin Carlsberg in aqueous and nonaqueous solvents. Molecular Simulation. 35. 2009
- Effects of Active Site Mutations in Hemoglobin I from Lucina Pectinata: a Molecular Dynamic Study. Molecular Simulation. 34:715-725. 2008
- Study of Magnesium Diboride Clusters Using Hybrid Density Functional Theory. Research Letters in Physics. 2008
- Phase equilibria in model surfactants forming langmuir monolayers. J. Chem. Phys. 127. 2007
- Molecular dynamics of surfactant protein C (SP-C): From single molecule to heptameric aggregates. Biophys. J. . 90. 2006
- Molecular Dynamics of Surfactant Protein C In A Hydrophillic Media [Abstract]. Protein Science. 14. 2005
- Density-Functional-Theory Calculations of TNT and its Interaction with Siloxane Sites of Clay Minerals [Conference Proceedings]. Proceedings of SPIE. 5415:1367-1376. 2004
- The Chemistry of TNT on Clean and Hydroxyl Precovered Ottawa Sand Particles [Conference Proceedings]. Proceedings of SPIE. 5415:1400-1407. 2004
- Theoretical Studies of the Molecular Structures of Dinitrotoluenes and their Interactions with Siloxane Site Surface of Clays [Conference Proceedings]. Proceedings of SPIE. 5415:1377-1388. 2004
- Vibrational spectroscopy study of beta and alpha RDX deposits. J. Chem. Phys. 108:8799. 2004
- Dissipative quantum dynamics with many coupled molecular states: Photodesorption from metal surfaces. J. Chem. Phys. 107:7311. 2003
- Optical control of photodesorption with chirped femtosecond pulses: Nonlinear response treatment for CO/Cu (001). Chem. Phys. Lett.. 369:459. 2003
- Nonlinear optical response and yield in the femtosecond photodesorption of CO from the Cu(001) surface: A density matrix treatment. J. Chem. Phys. 116:5173. 2002
- Adsorbate vibrational effects on the photodesorption of CO from Cu(001). J. Chem. Phys. 105:2468. 2001
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conference poster
- Functionalized Ferrocenes as Estrogen\'s Pendant Group: Synthesis, Characterization and Biomedical Application. 53rd ACS Junior Technical Meeting (JTM) and 38th Puerto Rico Interdisciplinary Scientific Meeting (PRISM). 2019