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Albeiro Restrepo

Instituto de Qu´ imica Universidad de Antioquia AA 1226, Medell´ Colombia in,

May 6, 2013 [email protected] http://quimica.udea.edu.co/qfteorica

Present positions

· Associate professor, Chemistry Institute, University of Antioquia. · Head, Theoretical Chemical Physics Group ­ .

Education

University of Connecticut Ph.D. in Chemistry ­ Advisor: Robert K. Bohn ­ Thesis: Influence of bonds on the structure of organic molecules University of Connecticut M. Sc. in Physics ­ Advisor: H. Harvey Michels ­ Thesis: Thermophysical properties of refrigerant/lubricant mixtures Storrs, CT 2005

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Storrs, CT 2004

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Florida Atlantic University Boca Raton, FL M. Sc. in Chemistry 1997 ­ Advisor: Frank Mari ­ Thesis: Theoretical studies of the mechanism of the Wittig olefination reaction Universidad de Antioquia Medell´ Colombia in, Qu´ imico 1992 ­ Advisors: Jorge Mahecha and Mar´ Victoria Alzate ia ­ Thesis: Aplicaci´n de los m´todos variacionales y autoconsistentes en el estudio de la tabla o e peri´dica o

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Teaching Experience

Universidad de Antioquia Associate professor Universidad de Antioquia Assistant professor University of Connecticut Teaching assistant Rice University Teaching assistant Florida Atlantic University Teaching assistant Instituto Polit´cnico Colombiano e Lecturer Corporaci´n Universitaria Lasallista o Lecturer Universidad de Antioquia Lecturer Instituto de Qu´ imica 2010 ­ present Instituto de Qu´ imica 2005 ­ 2010 Chemistry and Physics departments 1998 ­ 2005 Chemistry department 1997 ­ 1998 Chemistry department 1995 ­ 1997 Facultad de Ingenier´ ia 1993 ­ 1994 Ingenier´ de alimentos ia 1993 ­ 1994 Instituto de Qu´ imica 1992 ­ 1994

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Research Experience

Universidad de Antioquia Theoretical Chemical Physics Group University of Connecticut Graduate research University of Connecticut Graduate research Rice University Graduate research Florida Atlantic University Graduate research Carnegie Mellon University Visiting researcher Pittsburgh Supercomputing Center Visiting researcher Universidad de Antioquia Undergraduate research Instituto de Qu´ imica 2005 ­ present Department of Chemistry 2003 ­ 2005 Department of Physics 1998 ­ 2003 Department of Chemistry 1997 ­ 1998 Department of Chemistry 1995 ­ 1997 Department of Chemistry 1994 ­ 1995 Carlos Gonzalez 1994 ­ 1995 Departmento de Qu´ imica 1991 ­ 1992

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Administrative Experience

Universidad de Antioquia Head, Theoretical Chemical Physics Group Universidad de Antioquia Head, Graduate programs and Research Center Universidad de Antioquia Graduate committee Instituto de Qu´ imica 2005 ­ present Facultad de Ciencias Exactas y Naturales 2010 ­ 2012 Instituto de Qu´ imica 2008 ­ 2010

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Peer­reviewed publications

1. Sara L. G´mez, Doris Guerra, Jorge David, Albeiro Restrepo. Structural Characterization of o the (MeSH)4 Potential Energy Surface. J. Mol. Model. 2013, 19, 2173. 2. Juan David Gonzalez, Elizabeth Florez, Jonathan Romero, Andres Reyes, Albeiro Restrepo Microsolvation of Mg2+ , Ca2+ : strong influence of formal charges in hydrogen bond networks. J. Mol. Model. 2013, 19, 1763. 3. Sara L. G´mez, Doris Guerra, Jos´ L´pez, Alejandro Toro­Labb´, Albeiro Restrepo. A Detailed o e o e Look at the Reaction Mechanisms of Substituted Carbenes with Water. J. Phys. Chem. A. 2013, 117, 1991. 4. Cesar Ibarg¨en, Marcela Manrique­Moreno, Cacier Hadad, Jorge David, Albeiro Restrepo. u Microsolvation of Dimethylphosphate: A molecular model for the interaction of cell membranes with water. Phys. Chem. Chem. Phys. 2013, 15, 3203. 5. Doris Guerra, Jorge David, Albeiro Restrepo. (H3 N - BH3 )4 : The Ammonia Borane Tetramer. Phys. Chem. Chem. Phys. 2012, 14, 14892. 6. Diana Yepes, Steven Kirk, Samantha Jenkins, Albeiro Restrepo. Structures, Energies and Bonding in Neutral and Charged Li Microclusters. J. Mol. Model. 2012, 18, 4171. 7. Jonathan Bimler, Stacy Broadbent, Karissa A. Utzat, Robert K. Bohn, Albeiro Restrepo, H. Harvey Michels, and Nancy S. True. Microwave Spectrum, Molecular Structure, and Quadrupole Coupling of Vinyl Chloroformate. J. Mol. Struc. 2012, 1023, 87. 8. Jorge David, Doris Guerra, Albeiro Restrepo. Structures, Stability and Bonding in 1 Au10 clusters. Chem. Phys. Lett. 2012, 539­540, 64. 9. Jonathan Romero, Andres Reyes, Jorge David, Albeiro Restrepo. Understanding Microsolvation of Li+ : Structural and Energetical Analyses. Phys. Chem. Chem. Phys. 2011, 13, 15264. 10. Samantha Jenkins, Albeiro Restrepo, Jorge David, Dulin Yin, Steven Kirk. Spanning Topology Phase Diagrams of the Charge Densities of Water Isomers W4 ­W6 . Phys. Chem. Chem. Phys. 2011, 13, 11644.

11. Frank Ram´ irez, Cacier Hadad, Doris Guerra, Jorge David, Albeiro Restrepo. Structural Studies of the Water Pentamer. Chem. Phys. Lett. 2011. 507, 229. 12. Andrea Perez, Jorge David, Patricio Fuentealba, Albeiro Restrepo. Octahedral Complexes of the Series of Actinides Hexafluorides AnF6 . Chem. Phys. Lett. 2011. 507, 57. 13. Jorge David, Doris Guerra, Albeiro Restrepo. The Jahn­Teller effect: A case of incomplete theory for d4 complexes? Inorg. Chem. 2011, 50(4), 1480. 14. Juan David Ripoll, Andrei Serna, Doris Guerra, Albeiro Restrepo. Electronic Structure Calculations on Helical Conducting Polymers. J. Phys. Chem. A. 2010, 114, 10917. 15. Jorge David, Doris Guerra, Cacier Hadad, Albeiro Restrepo. Structure and Reactivity of the 1 Au Pt Clusters. J. Phys. Chem. A. 2010, 114, 10726. 6 16. Juliana Murillo, Jorge David, Albeiro Restrepo. Insights into the Structure and Stability of the Carbonic Acid Dimer. Phys. Chem. Chem. Phys. 2010, 12, 10963. 17. Gina Hincapi´, Nancy Acelas, Marcela Casta~o, Jorge David, Albeiro Restrepo. Structural e n Studies of the Water Hexamer. J. Phys. Chem. A. 2010. 114, 7809. 18. Cinthia Jaramillo, Doris Guerra, Luis Fernando Moreno, Albeiro Restrepo. Competitive Substituent Effects on the Reactivity of Aromatic Rings. J. Pyhs. Chem. A. 2010, 114, 6033. 19. Albeiro Restrepo, Gary Bent, Harvey Michels. Solution Theory Model for Refrigerant/Lubricant Mixtures. AIChE Journal. 2009, 55(12), 3241-3247. 20. Jorge David, Doris Guerra, Albeiro Restrepo. Structural Characterization of the (Methanol)4 Potential Energy Surface. J. Phys. Chem. A. 2009, 113, 10167. 21. Juan F. Orrego, Herminsul Cano, Albeiro Restrepo. Quantum Mechanical Study of the Gas Phase Reactions Between a Series of Substituted Singlet Carbenes and Water. J. Phys. Chem. A. 2009, 113, 6517. 22. Cinthia Jaramillo, Luis F. Moreno, Albeiro Restrepo. Proton Affinities and Protonation Sites in p­Nitroaniline. Rev. Col. Qu´ 2009, 38, 149. im. 23. German Melo, Jorge David, Albeiro Restrepo. Decomposition of the Scattering Amplitude into Surface and Shadow Components with Inclusion of Spin-Orbit Coupling. Phys. Rev. C. 2008, 78, 034611. 24. Jhon F. P´rez, Elizabeth Florez, Cacier Hadad, Patricio Fuentealba, Albeiro Restrepo. Stochastic e Search of the Quantum Conformational Space of Small Lithium and Bimetallic Lithium-Sodium Clusters. J. Phys. Chem. A. 2008, 112, 5749. 25. Jorge David, Patricio Fuentealba, Albeiro Restrepo. Relativistic Effects on the Hexafluorides of Group 10 Metals. Chem. Phys. Lett. 2008, 457, 42. 26. Jhon F. P´rez, Cacier Hadad, Albeiro Restrepo. Structural Studies of the Water Tetramer. e Intl. J. Quantum Chem. 2008, 108, 1653. 27. Jorge David and Albeiro Restrepo. Relativistic Effects on the Nuclear Magnetic Shielding in the MF (M = Cu, Ag, Au) Series. Phys. Rev. A. 2007, 76, 052511. 28. Sol M. Mej´ Juan F. Espinal, Albeiro Restrepo, Fanor Mondrag´n. Molecular Interactions of ia, o (Ethanol)2 ­Water Heterotrimers. J. Phys. Chem. A. 2007, 111, 8250.

29. Albeiro Restrepo and Robert Bohn. Alkyl Chains With CN and CCH Substituents Prefer Gauche Conformations. J. Mol. Struct. 2007, 833, 189. 30. Karissa Utzat, Albeiro Restrepo, Robert Bohn, Harvey Michels. Conformational Studies of Benzyl Alcohol and Benzyl Fluoride. Intl. J. of Quantum Chem. 2004, 100, 964. 31. Manuel Marquez, Frank Mari, Carlos Gonzalez, Albeiro Restrepo. Ab Initio Study of the Reactions Between a Series of Substituted Singlet Nitrenium Ions and Water. J. Phys. Chem. A. 1999, 103, 6191. The corrected list of authors for this paper, with my name on it can be found at J. Phys. Chem. A. 2000, 104, 8154. 32. Albeiro Restrepo, Carlos Gonzalez, Frank Mari. Comparative Ab initio Treatment (Hartree­Fock, Density Functional Theory, MP2 and Quadratic Configuration Interactions) of the Cycloaddition of Phosphorus Ylides with Formaldehyde in the Gas Phase. J. Phys. Chem. A. 1998, 102, 6993. 33. Carlos Gonzalez, Albeiro Restrepo, Manuel Marquez, Kenneth Wiberg, Michael de Rosa. Ab Initio Study of the Solvent Effects on the Singlet-Triplet Gap of Nitrenium Ions and Carbenes. J. Phys. Chem. A. 1998, 102, 2732. 34. Albeiro Restrepo, Herminsul Cano, Frank Mari, Carlos Gonzalez. Theoretical Study of the Mechanism of the Wittig Reaction: Ab Initio and MNDO­PM3 Treatment of the Reaction of Unstabilized, Semistabilized and Stabilized Ylides with Acetaldehyde. Het. Chem. 1997, 8, 557. 35. Carlos Gonzalez, Albeiro Restrepo, Manuel Marquez, Kenneth Wiberg. Ab Initio Study of the Ylide­like Intermediate Methyleneoxonium in the Reaction Between Singlet Methylene and Water. J. Am. Chem. Soc. 1996, 118, 5408. 36. Albeiro Restrepo, Carlos Gonzalez, Frank Mari, Manuel Marquez. Optimizadores Moleculares. Quimica: Actualidad y Futuro. 1995, 5, 101.

Submitted manuscripts

1. Wilson Cardona, Doris Guerra, Albeiro Restrepo. Reactivity of ­substituted , ­unsaturated cyclic lactones with antileishmanial activity. 2. Hadad, C.; Restrepo, A.; Jenkins, S.; Ram´ irez, F.; David, J. Hydrophobic meddling in small water clusters 3. Moreno­Prieto, N.; Florez, E.; Hadad, C.; Restrepo, A. Spin­Orbit effects in Au4 clusters. 4. Jonathan Romero, Albeiro Restrepo, Andr´s Reyes. Solvent isotope effects on the hydration e of alkaline cations: H/D secondary isotope effects on electrostatic interactions. 5. Nancy Acelas, Gina Hincapi´, Doris Guerra, Jorge David, Albeiro Restrepo. Structures, energies e and bonding in the water heptamer. 6. Doris Guerra, Jorge David, Albeiro Restrepo. Hydrogen bonding in the binary water/ammonia complex.

Other publications

1. Albeiro Restrepo. Influence of Bonds on the Structure of Organic Molecules. A Thesis submitted to the Faculty of The College of Science in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy. University of Connecticut, 2005. 2. Albeiro Restrepo. Theoretical Studies of the Mechanism of the Wittig Olefination Reaction. A Thesis submitted to the Faculty of The College of Science in Partial Fulfillment of the Requirements for the Degree of Master of Science. Florida Atlantic University, 1997. 3. Albeiro Restrepo. Manual de Laboratorio de Qu´ imica Inorg´nica. Edited by Corporaci´n a o Universitaria Lasallista, Medell´ Colombia, 1994. in, 4. Albeiro Restrepo. Aplicaci´n de los M´todos Variacionales y Autoconsistentes en el o e Estudio de la Tabla Peri´dica. A thesis submitted to The College of Sciences in Partial o Fulfillment of the Requirements for the Degree of Chemist. Universidad de Antioquia, 1992.

Invited/plenary lectures

1. Influencia de cargas formales en sistemas cooperativos de puentes de hidr´geno. To the o IV Congreso de Fisicoqu´ imica Te´rica y Computacional. Caracas, November 26­28, 2012. o 2. Stochastic Optimization on the Quantum Conformational Space of Atomic and Molecular Microclusters. To the X Jornadas de Investigaci´n, Universidad de Medell´ o in, September 4, 2012. 3. Structure and Bonding in Small Hydrogen Bonding Networks. To the IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales (IV ENQTC). Cali, Colombia, May 2012. o 4. Structure and Bonding in Small Hydrogen Bonding Networks. To the Chemistry Department, University of Connecticut, Storrs, CT, January 4th, 2012. 5. Structure and Bonding in Small Hydrogen Bonding Networks. To the 37th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVII) Riviera Maya, Mexico, 2011. 6. Structure and Bonding in Small Hydrogen Bonding Networks. To the Chemistry Department, Universidad Autonoma Metropolitana, Unidad Iztapalapa, Mexico city, December 14th, 2011. 7. Spin­Orbit Effects in Molecular Geometries. To the Theoretical Chemistry Group, Universidad Nacional, Bogot´, October, 2011. a 8. Stochastic Optimization on the Quantum Conformational Space of Atomic and Molecular Microclusters. To the XIII Cycle of Conferences on Physical Engineering, Universidad Eafit, Medell´ March 14th, 2011. in, 9. Stochastic Optimization on the Quantum Conformational Space of Atomic and Molecular Microclusters. To the Theoretical Chemistry Group, Universidad Nacional, Bogot´, a November, 2010.

10. Stochastic Optimization on the Quantum Conformational Space of Atomic and Molecular Microclusters. To the First International Conference on Computation for Science and Technology. Chiang Mai, Thailand. August 2010. 11. Actividades de Investigaci´n en el Grupo de Qu´ o imica­F´ isica Te´rica. To the II Encuentro o Nacional de Qu´ imicos Te´ricos y Computacionales (II ENQTC). Calarc´, Colombia, May 2008. o a 12. Exploraci´n Estoc´stica del Espacio Conformacional de Clusters At´micos y o a o Moleculares. To the Computational Physics and Astrophysics (FACom) group. Instituto de F´ isica, Universidad de Antioquia. April, 2007. 13. Preferencia Estructural de Cadenas Alif´ticas con sustituyentes CN y CCH. To the a Theoretical Chemistry and Simulations Wednesdays cycle. Instituto de Qu´ imica, Universidad de Antioquia. October, 2005. 14. Conformations of Alkyl Chains With CN and CCH Substituents. To the resarch groups of professors William Bailey, and Kenneth Wiberg, Yale University. March 17, 2005. 15. Conformations of Alkyl Chains With CN and CCH Substituents. To the meeting of the Connecticut Valley Quantum Chemistry Group. March 4, 2005. 16. Use of Semiempirical Methods in the Study of the Mechanisms of Polymerization Reactions. To the research group of professor Gustavo Larsen, University of Nebraska. Lincoln, 1995.

Talks in international events

As speaker 1. Ibarg¨en, C.; Manrique­Moreno, M.; Hadad, C. Z.; David, J.; Restrepo, A. Microsolvation of u Dimethylphosphate: A molecular model for the interaction of cell membranes with water. To the 38th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVIII) Natal, Brasil, 2012. 2. Restrepo, A. Influencia de cargas formales en sistemas cooperativos de puentes de hidr´geno. To the IV Congreso de Fisicoqu´ o imica Te´rica y Computacional. Caracas, November o 26­28, 2012. 3. Restrepo, A. Structure and Bonding in Small Hydrogen Bonding Networks. To the 37th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVII) Riviera Maya, Mexico, 2011. 4. Restrepo, A.; David, J.; Guerra, D. Spin­Orbit Effects in Molecular Geometries. 9th WATOC: Congress of the World Association of Theoretical and Computational Chemists. Santiago de Compostela, Spain, 2011. 5. Restrepo, A. Stochastic Optimization on the Quantum Conformational Space of Atomic and Molecular Microclusters. First International Conference on Computation for Science and Technology. Chiang Mai, Thailand. August 2010. 6. P´rez J.; Hadad, C.; Restrepo, A. Estudio Estructural de Tetrameros de Agua. 33rd Congress e of Theoretical Chemists of Latin Expression (QUITEL XXXIII). Havana, Cuba, September 2007.

7. P´rez J.; Hadad, C.; Restrepo, A. Exploraci´n Estoc´stica del Espacio Conformacional de e o a Clusters At´micos y Moleculares. 33rd Congress of Theoretical Chemists of Latin Expression o (QUITEL XXXIII). Havana, Cuba, September 2007. 8. Restrepo, A.; Scuseria, G. Noble Gas Endohedral Complexes of C70 . 212th Meeting of the American Chemical Society. Dallas, Texas, 1998. 9. Restrepo, A.; Gonzalez, C.; Mari, F. Mechanisms of the Wittig Olefination Reaction: Ab Initio Studies of the Reaction of Unstabilized, Semistabilized and Stabilized Ylides. 214th Meeting of the American Chemical Society. Las Vegas, Nevada, 1997. 10. Restrepo, A.; Gonzalez, C.; Mari, F. Theoretical Study of the Mechanism of the Wittig Olefination Reaction. 21st Meeting of the Florida Section of the American Chemical Society. Orlando, Florida, 1997. 11. Restrepo, A.; Gonzalez, C.; Mari, F. Theoretical Study of the Wittig Olefination Reaction: Ab Initio Treatment of the Mythical Wittig Half Reaction. 212th Meeting of the American Chemical Society. Orlando, Florida, 1996. 12. Restrepo, A.; Gonzalez, C.; Marquez, M.; Wiberg, K. Ab Initio Study of the Reactions Between a Series of Substituted Carbenes and Water. 4th World Congress of Theoretically Oriented Chemists (WATOC 96). Jerusalem, Israel, 1996. 13. Restrepo, A.; Gonzalez, C.; Marquez, M.; Wiberg, K. A Theoretical Study of Solvent Effects in the SingletTriplet Gaps of Nitrenium Ions and Carbene Radicals. 4th World Congress of Theoretically Oriented Chemists (WATOC 96). Jerusalem, Israel, 1996. As couathor 1. Moreno, N.; Florez, E.; Hadad, C. Z.; Restrepo, A. Caracterizaci´n de la SEP de sistemas o Aun Ptm (n + m = 4) en sus tres multiplicidades mas bajas. To the 38th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVIII) Natal, Brasil, 2012. 2. Zapata, A.; Manrique­Moreno, M.; Guerra, D.; Hadad, C. Z.; Restrepo, A. Caracterizaci´n del o Ibuprofeno hidratado con una, dos y tres mol´culas de agua. To the 38th Congress of e Theoretical Chemists of Latin Expression (QUITEL XXXVIII) Natal, Brasil, 2012. 3. Florez, E.; David, J.; Restrepo, A. Relativisti Effects on the Molecular Geometries of the Series XH+ (X = C, Si, Ge, Sn and Pb). To the X International Conference on Relativistic 4 Effects in Heavy Atoms (REHE 2012). Corrientes, Argentina, 2012. 4. Gomez, S.; Guerra, D.; Restrepo, A. Caracterizaci´n Estructural de la Superficie de o Energia Potencial y Analisis Topol´gico de la Densidad Electr´nica del Tetr´mero de o o a Metanotiol (CH3 SH))4 . To the 37th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVII). Riviera Maya, Mexico, 2011. 5. Gomez, S.; Guerra, D.; Restrepo, A.; Lopez, J. Estudios de Reacciones de Intermedios Altamente Reactivos: Reactividad de Radicales Carbeno e Iones Nitrenio. To the 37th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVII). Riviera Maya, Mexico, 2011. 6. Ibag¨en, C.; Manrique, M.; Hadad, C.; Restrepo, A. Microsolvataci´n del Dimetilfosfato. To u o the 37th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVII). Riviera Maya, Mexico, 2011.

7. Ibarg¨en, C.; Manrique, M.; Zapata, A.; Hadad, C.; Restrepo, A. Microsolvataci´n del u o Fosfo´ ipido Dimetilfofatidilcolina. to the 37th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXVII). Riviera Maya, Mexico, 2011. 8. Jenkins, S.; Kirk, R.; Restepo, A.; David, J.; Yin, D. Spanning QTAIM Topology Phase Diagrams of Water Isomer Sets. Workshop on Dynamics and Structure of Water: From Gas Phase Clusters to Condensed Phase. Taipei, Taiwan. 9. Jenkins, S.; Kirk, S.; Restrepo, A.; David, J.; Rong, C.; Liu, S.; Yin, D. Spanning QTAIM Topology Phase Diagrams for Isomer Sets. 7th Congress of the International Society for Theoretical Chemical Physics (ISTCP­VII). Tokyo, Japan, 2011. 10. Gomez, S.; Sieberg, M.; Guerra, D.; Hase, W.; Lopez, G.; Restrepo, A. A Theoretical Study of Gas-Phase Carbene Radical Reactions with Water. Pan American Advanced Studies Institute (PASI) Conference: Electronic Properties of Complex Systems. Cartagena, Colombia, 2011. 11. Serna, A.; Ripoll, J.; Restrepo, A. Static Conducting Porperties in Helical Polymers of Pyrrol, Furane and Thiophene. 7th. Workshop in Computational Chemistry and Molecular Spectrocopy. Punta de Tralca, Chile, 2010. 12. Ripoll, J.; Guerra, D.; Restrepo, A. Estructura tridimensional y propiedades conductoras en olig´meros de furano tiofeno y pirrol. 35th Congress of Theoretical Chemists of Latin o Expression (QUITEL XXXV). San Andr´s, Colombia, September 2009. e 13. Jaramillo, C.; Guerra, D.; Moreno, L.; Restrepo, A. Reactividad y Termodin´mica para la a Protonaci´n en Anilinas Sustituidas. 35th Congress of Theoretical Chemists of Latin o Expression (QUITEL XXXV). San Andr´s, Colombia, September 2009. e 14. P´rez, A.; David, J.; Fuentalba, P.; Restrepo, A. Efectos Relativistas en las Propiedades e Moleculares en Haluros e Hidruros de Pt, U, Pu y Cm. 35th Congress of Theoretical Chemists of Latin Expression (QUITEL XXXV). San Andr´s, Colombia, September 2009. e 15. G´mez, T.; Santos, J.; Restrepo, A. Theoretical Study of Methane Hydrate: o [email protected](H2 O)20 . 6th Workshop in Computational Chemistry and Molecular Spectroscopy. Punta de Tralca, Chile, 2008. 16. Yepes, D.; P´rez J.; Restrepo, A. Determinaci´n de Esructuras de Equilibrio de Clusters e o de Litio Usando un M´todo Estoc´stico. 33rd Congress of Theoretical Chemists of Latin e a Expression (QUITEL XXXIII). Havana, Cuba, September 2007. 17. Atticks, K.; Restrepo, A.; Bohn, R.; Michels, H. Conformational Studies of Benzyl Alcohol and Benzyl Fluoride. 44th Sanibel Symposium. Saint Augustine, Florida, 2004. 18. Churchill, G.; Restrepo, A.; Utzat, K.; Bohn, R. 3­Hexyne has C2v Symmetry. International Symposium on Molecular Spectroscopy. Columbus, Ohio, 2004. 19. Restrepo, A.; Gonzalez, C.; Mari, F. Theoretical Studies of the Mechanism of the Wittig Olefination Reaction. 5th Northamerican Chemical Congress. Canc´n, M´xico, 1997. u e 20. Restrepo, A.; Marquez, M.; Gonzalez, C. Ab Initio Studies of Nitrenium Ions in Gas Phase and in Solution. 5th Northamerican Chemical Congress. Canc´n, M´xico, 1997. u e 21. Restrepo, A.; Gonzalez, C.; Marquez, M.; Wiberg, K. Ab Initio Study of the Substituent Effects of Carbene Radical Reactions With Water. 210th Meeting of the American Chemical Society. Chicago, Illinois, 1995.

Talks in Colombian events

As speaker 1. Stochastic Optimization on the Quantum Conformational Space of Atomic and Molecular Microclusters. To the X Jornadas de Investigaci´n, Universidad de Medell´ o in, September 4, 2012. 2. Structure and Bonding in Small Hydrogen Bonding Networks. To the IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales (IV ENQTC). Cali, Colombia, May 2012. o 3. Actividades de Investigaci´n en el Grupo de Qu´ o imica­F´ isica Te´rica. To the II Encuentro o Nacional de Qu´ imicos Te´ricos y Computacionales (II ENQTC). Calarc´, Colombia, May 2008. o a 4. Restrepo, A.; Bohn, R. Influence of Bonds on the Strucuture of Organic Molecules: A Microwave Spectroscopy and DFT/Ab Initio Study on 1,6­Hetpadiyne. XIV Congreso Colombiano de Qu´ imica. Armenia, 2006. 5. Restrepo, A.; Michels, H. Ab Initio Study of Methane Hydrate. XIV Congreso Colombiano de Qu´ imica. Armenia, 2006. 6. Restrepo, A.; Peczuh, M. Conformational Studies of Septanoses: A Combined Semiempirical and Ab Initio Approach. XIV Congreso Colombiano de Qu´ imica. Armenia, 2006. 7. Restrepo, A.; Gonzalez, C.; Marquez, M.; Wiberg, K. Estudio Ab Initio de Una Serie de Carbenos Sustituidos. X Congreso Colombiano de Qu´ imica. Medell´ 1996. in, 8. Restrepo, A.; Mari, F. Investigaci´n Sobre el N´ mero y Tipo de Restricciones Necesarias o u Para la Determinaci´n de Estructuras Helicoidales Secundarias Usando RMN. X o Congreso Colombiano de Qu´ imica. Medell´ 1996. in, 9. Restrepo, A.; Alzate, M.; Mahecha, J. Aplicaci´n de M´todos Autoconsistentes en el o e Estudio de la Tabla Peri´dica. VII Congreso Colombiano de Qu´ o imica. Cali, 1991. 10. Restrepo, A.; Alzate, M.; Mahecha, J. Uso de M´todos Variacionales en el Estudio de la e Tabla Peri´dica. VII Congreso Colombiano de Qu´ o imica. Cali, 1991. As couathor 1. Zapata, A.: Hadad, C. Z.; Marique, M.; Guerra, D. Restrepo, A. Caracterizaci´n del o Ibuprofeno hidratado con una, dos y tres mole´ulas de agua. IV Encuentro Nacional de c Qu´ imicos Te´ricos y Computacionales. Cali, 2012. o 2. Florez, E.; David, J.; Restrepo, A. Relativistic effects on the molecular geometries of the imicos Te´ricos y Computacionales. Cali, 2012. o series XH+ . IV Encuentro Nacional de Qu´ 4 3. Ram´ irez, I.; Hadad, C. Z.; Restrepo, A. Cambios conformacionales en peque~ os clusters de n agua. IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Cali, 2012. o 4. Ibarg¨en, C.; Manrique, M.; Hadad, C. Z.; David, J.; Restrepo, A. Microsolvataci´n del u o Dimetilfosfato: un modelo molecular de interacci´n de la membrana celular con el o agua. IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Cali, 2012. o

5. Ibarg¨en, C.; Manrique, M.; Hadad, C.; Restrepo, A. Estudio de los Sitios de Solvataci´n del u o Fosfol´ ipido Fosfatidilcolina Constituyente de la Membrana Celular usando DFT. IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Cali, 2012. o 6. G´mez, S.; Guerra, D.; David, J.; Restrepo, A. Structural Characterization of the Potential o Energy Surface and Topological Analysis of the Electron Density in Methanethiol Tetramers (MeSH)4 . IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Cali, o 2012. 7. G´mez, S.; Guerra, D.; Lopez, J.; Restrepo, A. Carbene radicals + water: reaction o mechanism. IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Cali, 2012. o 8. Moreno, N.; Florez, E.; Hadad, C. Z.; Restrepo, A. Caracterizaci´n de la SEP de sistemas o Aun Ptm (n + m = 4) en sus tres multiplicidades m´s bajas. IV Encuentro Nacional de a Qu´ imicos Te´ricos y Computacionales. Cali, 2012. o 9. P´rez, A.; David, J.; Fuentealba, P.; Restrepo, A. Complejos Octaedrales de una Serie de e Hexafluoruros de Act´ inidos [AnF6 ]0,2- (An = U, Np, Pu, Cm, Cf ). III Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. San Gil, 2010. o 10. G´mez, S.; L´pez, J.; Guerra, D.; Restrepo, A. Estudios de Din´mica Directa de las o o a Reacciones de Intermedios Altamente Reactivos: Reactividad de Radicales Carbeno e Iones Nitrenio. III Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. San Gil, 2010. o 11. Pemberthy, D.; Montes, C.; Guerra, D.; Restrepo, A. Reactividad de las Dioxinas, Furanos y Bifenilos Similares en el Marco de la Teor´ de los Funcionales de la Densidad. III ia Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. San Gil, 2010. o 12. Usma, J.; Hadad, C. Z.; Restrepo, A. Estructura y Enlace de Peque~ os Clusters de Metanol n ­ Agua. III Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. San Gil, 2010. o 13. Ripoll, J.; Restrepo, A. Estructura Tridimensional y Propiedades Conductoras en Olig´meros de Furano, Tiofeno y Pirrol. II Encuentro Nacional de Qu´ o imicos Te´ricos y o Computacionales. Calarc´, 2008. a 14. Jaramillo, C.; Moreno, L.; Restrepo, A. Afinidad Prot´nica y Sitios de Protonaci´n en o o Anilinas Sustitu´ idas. II Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Calarc´, o a 2008. 15. Serna, A.; Restrepo, A. C´lculo de Propiedades Moleculares Conductoras de Pol´ a imeros Helicoidales en Funci´n de su Tama~ o. II Encuentro Nacional de Qu´ o n imicos Te´ricos y o Computacionales. Calarc´, 2008. a 16. Yepes, D.; Restrepo, A. Determinaci´n Estructural de Clusters Met´licos Alcalinos o a Usando un M´todo Estoc´stico. II Encuentro Nacional de Qu´ e a imicos Te´ricos y o Computacionales. Calarc´, 2008. a 17. Tilvez, E.; Restrepo, A. Influencia de los Efectos Cooperativos en Tetr´meros a Metanol­Agua. II Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Calarc´, 2008. o a 18. Orrego, J.; Cano, H.; Restrepo, A. Estudio Mecanocu´ntico de las Reacciones en Fase a Gaseosa Entre una Serie de Carbenos Monosustitu´ idos y Agua. II Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Calarc´, 2008. o a

19. P´rez, A.; Ensuncho, A.; Restrepo, A. Modelamiento ab intio del efecto micelar en el e equilibrio tautom´rico azo­hidrazona del ´cido 1­p­sulfofenilazo­2­naftol­6­sul´nico. e a o II Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales. Calarc´, 2008. o a 20. Mart´ inez, R.; Ensuncho, A.; Restrepo, A. Evaluaci´n de las Energ´ de Interacci´n y o ias o Geometr´ de Equilibrio para los Clusters de Mol´culas de 1,2­propanodiol y ias e 1,3­propanodiol con 3,4,5 y 6 Mol´culas de Agua, Mediante la Implementaci´n de e o C´lculos Mecanocu´nticos abinitio. II Encuentro Nacional de Qu´ a a imicos Te´ricos y o Computacionales. Calarc´, 2008. a 21. Mej´ S.; Espinal, J.; Restrepo, A.; Mondrag´n, F. Caracterizaci´n Molecular de la ia, o o Interacci´n (Etanol)2 ­Agua Utilizando M´todos de la Estructura Electr´nica. VII o e o Congreso Nacional de Ciencia y Tecnolog´ del Carb´n y Combustibles Alternativos. Valledupar, ia o 2007. 22. Yepes, D.; Bohn, R.; Restrepo, A. MP2 Ab Initio and Semiempirical Structural Studies of the Carcinogenic N­Nitrosamines and their Isoelectronic Analogues N­Nitrosamides. XIV Congreso Colombiano de Qu´ imica. Armenia, 2006. 23. Le´n, L.; Restrepo, A. Afinidad Prot´nica y Sitios de Protonaci´n Anilinas Arom´ticas o o o a Sustitu´ idas. Un Estudio Combinado Semiemp´ irico, DFT y MP2. XIV Congreso Colombiano de Qu´ imica. Armenia, 2006. 24. P´rez, J.; Hadad, C.; Restrepo, A. B´ squeda Estoc´stica del Espacio Conformacional de e u a Clusteres con Evaluaci´n Cu´ntica de la Energ´ Annealing Simulado Acoplado con o a ia: M´todos Semiemp´ e iricos, Hartree­Fock y DFT. XIV Congreso Colombiano de Qu´ imica. Armenia, 2006. 25. Franco, D.; Franco, F.; Restrepo, A. Complejos Endohedrales de C70 : Un Estudio Computacional. XIV Congreso Colombiano de Qu´ imica. Armenia, 2006.

Committees

1. Organizing committee, IV Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales o (IVENQTC), I Escuela Colombiana de Teor´ y Computaci´n en las Ciencias Moleculares ia o (I­ECTCCM), Santiago de Cali, Colombia, April 28 ­ May 1, 2012. 2. Scientific Advisory Board, 1st International Conference of Computation for Science and Technology (ICCST-I), Chiang Mai, Thailand, August 4 ­ 6, 2010. 3. Scientific committee, III Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales o (IIIENQTC), San Gil, Santander, Colombia, April 30 ­ May 2, 2010. 4. Organizing committee, XXXV Congreso de Qu´ imicos Te´ricos de Expresi´n Latina (QUITEL o o XXXV), San Andr´s, Colombia, September 2009. e 5. Scientific committee, II Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales (IIENQTC), o Calarc´, Quind´ Colombia, May 2008. a io, 6. Organizing committee, II Encuentro Nacional de Qu´ imicos Te´ricos y Computacionales o (IIENQTC), Calarc´, Quind´ Colombia, May 2008. a io,

Reviewer for the following journals

1. Langmuir 2. Journal of Physical Chemistry 3. Chemical Physics 4. Journal of Molecular Modeling 5. International Journal of Quantum Chemistry 6. Journal of Molecular Structure 7. International Journal of Molecular Sciences 8. Zeitschrift f¨r Naturforschung A u 9. Journal of Cluster Science 10. Physica B 11. Revista Colombiana de Qu´ imica

Degrees earned under Dr. Restrepo's advice

1. Sara G´mez, Chemist. Universidad de Antioquia, 2013. Dissertation title: Estudio de los o Mecanismos de las Reacciones Entre Carbenos Sustitu´ idos y Agua. Cotutor Prof. Doris Guerra. 2. Andrei Serna, M. Sc. in Chemistry. Universidad de Antioquia, 2012. Dissertation title: C´lculo a de Propiedades Moleculares Conductoras Est´ticas en Pol´ a imeros Helicoidales de Pirrol, Furano y Tiofeno en Funci´n de su Tama~ o. o n 3. Andy Zapata, Chemist. Universidad de Antioquia, 2012. Dissertation title: Caracterizaci´n o Estructural y de la Densidad Electr´nica de las Interacci´n del Ibuprofeno Ani´nico o o o con Una, Dos y Tres Mol´culas de Agua. e Cotutors Prof. Marcela Manrique, Prof. Doris Guerra, Prof. Cacier Hadad. 4. Norberto Moreno, Chemist. Universidad de Antioquia, 2012. Dissertation title: Caracterizaci´n o de las Superficies de Energ´ Potencial de Clusters Aum Ptn , (n + m = 4) Considerando ia el Efecto del Acoplamiento Spin­Orbita. Cotutors Prof. Elizabeth Florez, Prof. Cacier Hadad. 5. Cesar Ibarg¨en, Chemist. Universidad de Antioquia, 2012. Dissertation title: Microsolvataci´n u o del Dimetilphosphato: Un Modelo Molecular para la Interacci´n de Membranas o Celulares con Agua. Cotutors Prof. Marcela Manrique, Prof. Cacier Hadad.

6. Edison Florez, Chemist. Universidad de Antioquia, 2012. Dissertation title: Efectos Relativistas en las Geometr´ Moleculares de la Serie XH+ (X = C, Si, Ge, Sn). ias 4 Cotutor Prof. Jorge David. 7. Cinthia Jaramillo, Chemist, Universidad de Antioquia, 2012. Dissertation title: Efecto de los Sustituyentes en la Reactividad de Anillo Arom´tico. a 8. Andrea P´rez Villa, Chemist. Universidad de Antioquia, 2011. Dissertation title: Complejos e Octahedrales de la Serie de Hexafluoruros de Act´ inidos AnF6 . Cotutor Prof. Jorge David. 9. Diana Yepes, Chemist. Universidad de Antioquia, 2009. Dissertation title: Caracterizaci´n o Estructural y Electr´nica de Microclusters de Li, Na y K. o 10. Juan David Ripoll, Chemist. Universidad de Antioquia. 2007. Dissertation title: Estructura Tridimensional y Propiedades Conductoras en Olig´meros de Pirrol, Furano y Tiofeno. o

Thesis juror

1. C´sar Luna C´ceres, M. Sc. in Chemistry, Universidad Industrial de Santander, 2012. Dissertation e a title: Desarrollo de una metodolog´ eficiente para el c´lculo de propiedades magn´ticas ia a e moleculares. 2. Mario Alberto Bar´n Rodr´ o iguez, Dr. in Chemistry, Universidad Industrial de Santander, 2012. Dissertation title: Bases moleculares del cambio conformacional y aglomeraci´n de la o 2+ como mediador en la formaci´n de fibras ­2­microglobulina. Efecto del Cu o amiloides. 3. Juan Fernando Orrego, Dr. in Chemical Sciences, Universidad de antioquia, 2010. Dissertation title: Caracterizaci´n Molecular de Algunas Reacciones de Oxidaci´n de Hidrocarburos o o Arom´ticos con Ox´ a igeno At´mico. o 4. Geovanna Tafurt Garc´ Dr. in Chemistry. Universidad Industrial de Santander, 2008. ia, Dissertation title: Estudios Te´rico y Experimental Para Evaluar la Relaci´n Actividad o o Antioxidante ­ Estructura de Anilinias Sint´ticas y la Alquilaci´n Intramolecular de e o FriedelCrafts de Orto­Alil­N­Bencilanilinas. 5. Jhon Fredy P´rez, M. Sc. in Chemical Sciences, Universidad de Antioquia, 2007. Dissertation title: e Atomo de Hooke: Correlaci´n Electr´nica e Interacci´n con Pulsos Laser. o o o 6. Elizabeth Florez, Dr. in Chemical Sciences, Universidad de Antioquia, 2006. Dissertation title: Caracterizaci´n Electr´nica y Reactividad Qu´ o o imica de Nanoestructuras Formadas por Atomos y Clusters Met´licos Depositados Sobre una Vacancia de Ox´ a igeno en la Superficie del Oxido de Magnesio.

Computer programs

1. Diatom. Calculates electronic structure of diatomic molecules at the HF, MPn, CI and CC levels. Authors: Harvey Michels, Albeiro Restrepo. Owner: Prof. Harvey Michels, Physics Department, University of Connecticut. 2. Nisc. Non Ideal Solution Code. Calculates thermophysical properties (solubility, viscosity, heat capacity, density, enthalpy, entropy, free energy among others) of Refrigerant/Lubricant mixtures. Authors: Harvey Michels, Gary Bent, Albeiro Restrepo. Owner: United Technologies, Hartford, Connecticut. 3. Ascec. Annealing Simulado Con Energ´ Cu´ntica. Generates candidate structures for local ia a minima in the Potential Energy Surfaces of atomic and molecular clusters. Authors: Jhon F. Perez and Albeiro Restrepo; contributions from Cesar P´rez. Owner: Grupo de Qu´ e imica­F´ isica Te´rica, o Instituto de Qu´ imica, Universidad de Antioquia.

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