Doris Guerra, Ph.D. - Publications

Affiliations: 
Instituto de Química Universidad de Antioquia, Medellín, Antioquia, Colombia 

23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Zapata-Escobar A, Manrique-Moreno M, Guerra D, Hadad CZ, Restrepo A. A combined experimental and computational study of the molecular interactions between anionic ibuprofen and water Journal of Chemical Physics. 140. PMID 24832275 DOI: 10.1063/1.4874258  0.88
2014 Guerra D, David J, Restrepo A. Hydrogen bonding in the binary water/ammonia complex Journal of Computational Methods in Sciences and Engineering. 14: 93-102. DOI: 10.3233/Jcm-140487  0.88
2014 Cardona W, Guerra D, Restrepo A. Reactivity of δ-substituted α,β-unsaturated cyclic lactones with antileishmanial activity Molecular Simulation. 40: 477-484. DOI: 10.1080/08927022.2013.822077  0.88
2014 Ibargüen C, Guerra D, Hadad CZ, Restrepo A. Very weak interactions: Structures, energies and bonding in the tetramers and pentamers of hydrogen sulfide Rsc Advances. 4: 58217-58225. DOI: 10.1039/C4Ra09430A  0.88
2013 Acelas N, Hincapié G, Guerra D, David J, Restrepo A. Structures, energies, and bonding in the water heptamer. The Journal of Chemical Physics. 139: 044310. PMID 23901983 DOI: 10.1063/1.4816371  0.88
2013 Gómez S, Guerra D, David J, Restrepo A. Structural characterization of the (MeSH)4 potential energy surface. Journal of Molecular Modeling. 19: 2173-81. PMID 23400491 DOI: 10.1007/S00894-013-1765-4  0.88
2013 Gómez S, Guerra D, López JG, Toro-Labbé A, Restrepo A. A detailed look at the reaction mechanisms of substituted carbenes with water. The Journal of Physical Chemistry. A. 117: 1991-9. PMID 23398173 DOI: 10.1021/Jp310253W  0.88
2013 Buesa I, Badal E, Guerra D, Ballester C, Bonet L, Intrigliolo DS. Regulated deficit irrigation in persimmon trees (Diospyros kaki) cv. 'Rojo Brillante' Scientia Horticulturae. 159: 134-142. DOI: 10.1016/j.scienta.2013.05.014  0.88
2013 Badal E, El-Mageed TAA, Buesa I, Guerra D, Bonet L, Intrigliolo DS. Moderate plant water stress reduces fruit drop of " Rojo Brillante" persimmon (Diospyros kaki) in a Mediterranean climate Agricultural Water Management. 119: 154-160. DOI: 10.1016/j.agwat.2012.12.020  0.88
2012 Guerra D, David J, Restrepo A. (H3N-BH3)4: the ammonia borane tetramer. Physical Chemistry Chemical Physics : Pccp. 14: 14892-7. PMID 22955473 DOI: 10.1039/C2Cp41765K  0.56
2012 David J, Guerra D, Restrepo A. Structure, stability and bonding in the 1Au10 clusters Chemical Physics Letters. 539: 64-69. DOI: 10.1016/J.Cplett.2012.04.030  0.56
2011 David J, Guerra D, Restrepo A. The Jahn-Teller effect: a case of incomplete theory for d4 complexes? Inorganic Chemistry. 50: 1480-3. PMID 21214260 DOI: 10.1021/Ic102048J  0.56
2010 Ripoll JD, Serna A, Guerra D, Restrepo A. Electronic structure calculations on helical conducting polymers. The Journal of Physical Chemistry. A. 114: 10917-21. PMID 20873834 DOI: 10.1021/Jp1077642  0.88
2010 David J, Guerra D, Hadad CZ, Restrepo A. Structure and reactivity of the (1)Au6Pt clusters. The Journal of Physical Chemistry. A. 114: 10726-31. PMID 20831250 DOI: 10.1021/Jp106544W  0.56
2010 Jaramillo C, Guerra D, Moreno LF, Restrepo A. Competitive substituent effects on the reactivity of aromatic rings. The Journal of Physical Chemistry. A. 114: 6033-8. PMID 20402533 DOI: 10.1021/Jp9118919  0.88
2010 Fuentealba P, David J, Guerra D. Density functional based reactivity parameters: Thermodynamic or kinetic concepts? Journal of Molecular Structure: Theochem. 943: 127-137. DOI: 10.1016/J.Theochem.2009.11.014  0.88
2009 David J, Guerra D, Restrepo A. Structural characterization of the (methanol)4 potential energy surface. The Journal of Physical Chemistry. A. 113: 10167-73. PMID 19711934 DOI: 10.1021/Jp9041099  0.56
2009 Guerra D, Contreras R, Cedillo A, Aizman A, Fuentealba P. On the principle of spin potential equalization. The Journal of Physical Chemistry. A. 113: 1390-6. PMID 19149464 DOI: 10.1021/Jp8066348  0.88
2009 Guerra D, Vargas R, Fuentealba P, Garza J. Modeling Pressure Effects on the Electronic Properties of Ca, Sr, and Ba by the Confined Atoms Model Advances in Quantum Chemistry. 58: 1-12. DOI: 10.1016/S0065-3276(09)00705-9  0.88
2007 Guerra D, Fuentealba P, Aizman A, Contreras R. β-Scission of thioimidoyl radicals (R1-N-C{radical dot}{double bond, long}S-R2): A theoretical scale of radical leaving group ability Chemical Physics Letters. 443: 383-388. DOI: 10.1016/J.Cplett.2007.06.053  0.88
2007 Guerra D, Andrés J, Chamorro E, Pérez P. Understanding the chemical reactivity of phenylhalocarbene systems: An analysis based on the spin-polarized density functional theory Theoretical Chemistry Accounts. 118: 325-335. DOI: 10.1007/S00214-007-0263-0  0.88
2006 Guerra D, Castillo R, Andrés J, Fuentealba P, Aizman A, Contreras R. Homofugality: A new reactivity index describing the leaving group ability in homolytic substitution reactions Chemical Physics Letters. 424: 437-442. DOI: 10.1016/J.Cplett.2006.04.092  0.88
2006 Guerra D, Contreras R, Pérez P, Fuentealba P. Hardness and softness kernels, and related indices in the spin polarized version of density functional theory Chemical Physics Letters. 419: 37-43. DOI: 10.1016/J.Cplett.2005.11.039  0.88
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