| 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 |
0.311 |
|
| 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 |
0.314 |
|
| 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 |
0.308 |
|
| 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 |
0.308 |
|
| 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 |
0.365 |
|
| 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 |
0.326 |
|
| 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 |
0.334 |
|
| 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 |
0.369 |
|
| 2011 |
Ramírez F, Hadad C, Guerra D, David J, Restrepo A. Structural studies of the water pentamer Chemical Physics Letters. 507: 229-233. DOI: 10.1016/J.Cplett.2011.03.084 |
0.3 |
|
| 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 |
0.333 |
|
| 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 |
0.545 |
|
| 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 |
0.326 |
|
| 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 |
0.631 |
|
| 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 |
0.558 |
|
| 2008 |
Contreras R, Galván M, Oliva M, Safont VS, Andrés J, Guerra D, Aizman A. Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to nitric acid Chemical Physics Letters. 457: 216-221. DOI: 10.1016/J.Cplett.2008.03.067 |
0.583 |
|
| 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 |
0.63 |
|
| 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 |
0.662 |
|
| 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 |
0.606 |
|
| 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 |
0.662 |
|
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