| Year |
Citation |
Score |
| 2023 |
Ayarde-Henríquez L, Guerra C, Duque-Noreña M, Chamorro E. Revisiting the bonding evolution theory: a fresh perspective on the ammonia pyramidal inversion and bond dissociations in ethane and borazane. Physical Chemistry Chemical Physics : Pccp. 25: 27394-27408. PMID 37792471 DOI: 10.1039/d3cp03572g |
0.321 |
|
| 2022 |
Ayarde Henríquez L, Guerra C, Duque-Noreña M, Rincón E, Pérez P, Chamorro E. On the Notation of Catastrophes in the Framework of Bonding Evolution Theory: the Case of Normal and Inverse Electron Demand Diels-Alder Reactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 35841535 DOI: 10.1002/cphc.202200343 |
0.57 |
|
| 2022 |
Guerra C, Ayarde-Henríquez L, Duque-Noreña M, Chamorro E. Photochemically Induced 1,3-Butadiene Ring-Closure from the Topological Analysis of the Electron Localization Function Viewpoint. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202200217. PMID 35689411 DOI: 10.1002/cphc.202200217 |
0.313 |
|
| 2021 |
Guerra C, Ayarde-Henríquez L, Duque-Noreña M, Cárdenas C, Pérez P, Chamorro E. On the nature of bonding in the photochemical addition of two ethylenes: C-C bond formation in the excited state? Physical Chemistry Chemical Physics : Pccp. PMID 34505860 DOI: 10.1039/d1cp03554a |
0.688 |
|
| 2021 |
Ayarde-Henríquez L, Guerra C, Duque-Noreña M, Rincón E, Pérez P, Chamorro E. Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene? The Journal of Physical Chemistry. A. PMID 33977708 DOI: 10.1021/acs.jpca.1c01448 |
0.475 |
|
| 2020 |
Chamorro E, Duque-Noreña M, Gutierrez-Sánchez N, Rincón E, Domingo LR. A Close Look to the Oxaphosphetane Formation along the Wittig Reaction: A [2+2] Cycloaddition? The Journal of Organic Chemistry. PMID 32293888 DOI: 10.1021/Acs.Joc.0C00697 |
0.465 |
|
| 2020 |
Geerlings P, Chamorro E, Chattaraj PK, De Proft F, Gázquez JL, Liu S, Morell C, Toro-Labbé A, Vela A, Ayers P. Conceptual density functional theory: status, prospects, issues Theoretical Chemistry Accounts. 139. DOI: 10.1007/S00214-020-2546-7 |
0.385 |
|
| 2019 |
Domingo LR, Ríos-Gutiérrez M, Chamorro E, Pérez P. Are one-step aromatic nucleophilic substitutions of non-activated benzenes concerted processes? Organic & Biomolecular Chemistry. PMID 31451810 DOI: 10.1039/C9Ob01589B |
0.633 |
|
| 2019 |
Chamorro E, Prado Y, Duque-Noreña M, Gutierrez-Sánchez N, Rincón E. Understanding the sequence of the electronic flow along the HCN/CNH isomerization within a bonding evolution theory quantum topological framework Theoretical Chemistry Accounts. 138. DOI: 10.1007/S00214-019-2440-3 |
0.476 |
|
| 2018 |
Chamorro E, Duque-Noreña M, Kaya S, Rincón E, Pérez P. On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride. Journal of Molecular Modeling. 24: 305. PMID 30284057 DOI: 10.1007/S00894-018-3841-2 |
0.63 |
|
| 2018 |
Matute RA, Pérez P, Chamorro E, Villegas-Escobar N, Cortés-Arriagada D, Herrera B, Gutiérrez-Oliva S, Toro-Labbé PA. The Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-π-Methane Rearrangement. The Journal of Organic Chemistry. PMID 29486121 DOI: 10.1021/Acs.Joc.8B00499 |
0.776 |
|
| 2018 |
Chamorro E, Rincón E. Unraveling the sequence of the electronic flow along the water-assisted ring-opening reaction in mutagen MX Theoretical Chemistry Accounts. 138. DOI: 10.1007/S00214-018-2384-Z |
0.421 |
|
| 2017 |
Kaya S, Chamorro E, Petrov D, Kaya C. New insights from the relation between lattice energy and bond stretching force constant in simple ionic compounds Polyhedron. 123: 411-418. DOI: 10.1016/J.Poly.2016.12.028 |
0.32 |
|
| 2017 |
Calderón LA, Chamorro E, Espinal JF. Understanding the kinetics of carbon-hydrogen reaction: Insights from reaction mechanisms on zigzag edges for homogeneous and heterogeneous formation of methane Carbon. 118: 597-606. DOI: 10.1016/J.Carbon.2017.03.097 |
0.381 |
|
| 2017 |
Domingo LR, Ríos-Gutiérrez M, Chamorro E, Pérez P. Electrophilic activation of CO2 in cycloaddition reactions towards a nucleophilic carbenoid intermediate: new defying insights from the Molecular Electron Density Theory Theoretical Chemistry Accounts. 136: 1-13. DOI: 10.1007/S00214-016-2022-6 |
0.615 |
|
| 2016 |
Domingo LR, Ríos-Gutiérrez M, Pérez P, Chamorro E. Understanding the [2n+2n] reaction mechanism between a carbenoid intermediate and CO2 Molecular Physics. 1-18. DOI: 10.1080/00268976.2016.1142127 |
0.593 |
|
| 2016 |
Calderón LA, Chamorro E, Espinal JF. Mechanisms for homogeneous and heterogeneous formation of methane during the carbon–hydrogen reaction over zigzag edge sites Carbon. 102: 390-402. DOI: 10.1016/J.Carbon.2016.02.052 |
0.372 |
|
| 2016 |
Chamorro E, Duque-Noreña M, Ríos-Gutiérrez M, Domingo LR, Pérez P. Intrinsic relative nucleophilicity of indoles Theoretical Chemistry Accounts. 135: 202. DOI: 10.1007/S00214-016-1974-X |
0.561 |
|
| 2016 |
Domingo LR, Ríos-Gutiérrez M, Duque-Noreña M, Chamorro E, Pérez P. Understanding the carbenoid-type reactivity of nitrile ylides in [3+2] cycloaddition reactions towards electron-deficient ethylenes: a molecular electron density theory study Theoretical Chemistry Accounts. 135: 160. DOI: 10.1007/S00214-016-1909-6 |
0.598 |
|
| 2015 |
Chamorro E, Duque-Noreña M. Understanding the Highly Varying pKa of Arylamines. A Perspective from the Average Local Ionization Condensed-to-Atom Framework. The Journal of Physical Chemistry. A. 119: 8156-62. PMID 26107310 DOI: 10.1021/Acs.Jpca.5B03252 |
0.381 |
|
| 2015 |
Pérez P, Yepes D, Jaque P, Chamorro E, Domingo LR, Rojas RS, Toro-Labbé A. A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs. Physical Chemistry Chemical Physics : Pccp. 17: 10715-25. PMID 25812082 DOI: 10.1039/C5Cp00306G |
0.607 |
|
| 2015 |
Chamorro E, Melin J. On the intrinsic reactivity index for electrophilicity/nucleophilicity responses. Journal of Molecular Modeling. 21: 53. PMID 25701090 DOI: 10.1007/S00894-015-2608-2 |
0.351 |
|
| 2015 |
López L, Ruiz P, Castro M, Quijano J, Duque-Noreña M, Pérez P, Chamorro E. Understanding the thermal dehydrochlorination reaction of 1-chlorohexane. Revealing the driving bonding pattern at the planar catalytic reaction center Rsc Advances. 5: 62946-62956. DOI: 10.1039/C5Ra10152B |
0.616 |
|
| 2014 |
Chamorro E, Ruiz P, Quijano J, Luna D, Restrepo L, Zuluaga S, Duque-Noreña M. Understanding the thermal [1s,5s] hydrogen shift isomerization of ocimene. Journal of Molecular Modeling. 20: 2390. PMID 25096812 DOI: 10.1007/S00894-014-2390-6 |
0.301 |
|
| 2013 |
Reyes A, Cuervo PA, Orozco F, Abonia R, Duque-Noreña M, Pérez P, Chamorro E. Theoretical investigation of the selectivity in intramolecular cyclizations of some 2'-aminochalcones to dihydroquinolin-8-ones and indolin-3-ones. Journal of Molecular Modeling. 19: 3611-8. PMID 23748481 DOI: 10.1007/S00894-013-1893-X |
0.592 |
|
| 2013 |
Vegas Á, Notario R, Chamorro E, Pérez P, Liebman JF. Isoelectronic and isolobal O, CH2, CH3+ and BH3 as electron pairs; similarities between molecular and solid-state chemistry. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 69: 163-75. PMID 23719703 DOI: 10.1107/S2052519213001048 |
0.523 |
|
| 2013 |
Alcoba DR, Lain L, Torre A, Oña OB, Chamorro E. Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theory. Physical Chemistry Chemical Physics : Pccp. 15: 9594-604. PMID 23670561 DOI: 10.1039/C3Cp50736J |
0.403 |
|
| 2013 |
Rincon E, Zuloaga F, Chamorro E. Global and local chemical reactivities of mutagen X and simple derivatives Journal of Molecular Modeling. 19: 2573-2582. PMID 23463265 DOI: 10.1007/S00894-013-1799-7 |
0.376 |
|
| 2013 |
Chamorro E, Duque-Noreña M, Notario R, Pérez P. Intrinsic relative scales of electrophilicity and nucleophilicity. The Journal of Physical Chemistry. A. 117: 2636-43. PMID 23350794 DOI: 10.1021/Jp312143T |
0.568 |
|
| 2013 |
Vegas A, Notario R, Chamorro E, Pérez P, Liebman JF. Isoelectronic and isolobal O, CH2, CH3 + and BH 3 as electron pairs; Similarities between molecular and solid-state chemistry Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 69: 163-175. DOI: 10.1107/S2052519213001048 |
0.448 |
|
| 2013 |
Chamorro E, Pérez P, Domingo LR. On the nature of Parr functions to predict the most reactive sites along organic polar reactions Chemical Physics Letters. 582: 141-143. DOI: 10.1016/J.Cplett.2013.07.020 |
0.602 |
|
| 2012 |
Chamorro E, Bessolo J, Duque-Noreña M, Pérez P. Intrinsic electronic reorganization energy in the electron transfer from substituted N,N-dimethylanilines to phthalimide N-oxyl radical Chemical Physics Letters. 534: 67-71. DOI: 10.1016/J.Cplett.2012.03.007 |
0.599 |
|
| 2011 |
Pérez P, Chamorro E. Theoretical analysis of substituted diels - Alder reagents to determine Letters in Organic Chemistry. 8: 88-94. DOI: 10.2174/157017811794697520 |
0.535 |
|
| 2010 |
Domingo LR, Chamorro E, Pérez P. Understanding the mechanism of non-polar Diels-Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms. Organic & Biomolecular Chemistry. 8: 5495-504. PMID 20967366 DOI: 10.1039/C0Ob00563K |
0.618 |
|
| 2010 |
Pérez P, Chamorro E. Global and local reactivity of N-heterocyclic carbenes with boron and phosphorus atoms: An analysis based on spin polarized density functional framework Journal of Molecular Structure: Theochem. 943: 110-114. DOI: 10.1016/J.Theochem.2009.11.011 |
0.582 |
|
| 2009 |
Bentabed-Ababsa G, Derdour A, Roisnel T, Sáez JA, Pérez P, Chamorro E, Domingo LR, Mongin F. A combined experimental and theoretical study of the polar [3 + 2] cycloaddition of electrophilically activated carbonyl ylides with aldehydes and imines. The Journal of Organic Chemistry. 74: 2120-33. PMID 19199802 DOI: 10.1021/Jo8027104 |
0.521 |
|
| 2009 |
Chamorro E, Duque-Noreña M, Pérez P. Further relationships between theoretical and experimental models of electrophilicity and nucleophilicity Journal of Molecular Structure: Theochem. 901: 145-152. DOI: 10.1016/J.Theochem.2009.01.014 |
0.561 |
|
| 2009 |
Chamorro E, Duque-Noreña M, Pérez P. A comparison between theoretical and experimental models of electrophilicity and nucleophilicity Journal of Molecular Structure: Theochem. 896: 73-79. DOI: 10.1016/J.Theochem.2008.11.009 |
0.515 |
|
| 2009 |
Pérez P, Domingo LR, Duque-Noreña M, Chamorro E. A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions Journal of Molecular Structure: Theochem. 895: 86-91. DOI: 10.1016/J.Theochem.2008.10.014 |
0.596 |
|
| 2009 |
Domingo LR, Chamorro E, Pérez P. An analysis of the regioselectivity of 1,3-Dipolar cycloaddition reactions of benzonitrile N-Oxides based on global and local electrophilicity and nucleophilicity indices European Journal of Organic Chemistry. 3036-3044. DOI: 10.1002/Ejoc.200900213 |
0.631 |
|
| 2008 |
Chamorro ER, Sequeira AF, Zalazar MF, Peruchena NM. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa Bioorganic and Medicinal Chemistry. 16: 8535-8545. PMID 18752964 DOI: 10.1016/j.bmc.2008.08.008 |
0.323 |
|
| 2008 |
Chamorro E, Pérez P, Duque M, De Proft F, Geerlings P. Dual descriptors within the framework of spin-polarized density functional theory. The Journal of Chemical Physics. 129: 064117. PMID 18715061 DOI: 10.1063/1.2965594 |
0.574 |
|
| 2008 |
Pérez P, Chamorro E, Ayers PW. Universal mathematical identities in density functional theory: results from three different spin-resolved representations. The Journal of Chemical Physics. 128: 204108. PMID 18513011 DOI: 10.1063/1.2916714 |
0.535 |
|
| 2008 |
Domingo LR, Chamorro E, Pérez P. Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions. A theoretical study. The Journal of Organic Chemistry. 73: 4615-24. PMID 18484771 DOI: 10.1021/Jo800572A |
0.56 |
|
| 2008 |
Domingo LR, Chamorro E, Pérez P. An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar diels-alder reactions. A density functional theory study. The Journal of Physical Chemistry. A. 112: 4046-53. PMID 18370427 DOI: 10.1021/Jp711704M |
0.656 |
|
| 2008 |
Cárdenas C, De Proft F, Chamorro E, Fuentealba P, Geerlings P. Theoretical study of the surface reactivity of alkaline earth oxides: local density of states evaluation of the local softness. The Journal of Chemical Physics. 128: 034708. PMID 18205519 DOI: 10.1063/1.2819239 |
0.697 |
|
| 2008 |
Cárdenas C, De Proft F, Chamorro E, Fuentealba P, Geerlings P. Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness Journal of Chemical Physics. 128. DOI: 10.1063/1.2819239 |
0.516 |
|
| 2008 |
Fuentealba P, Chamorro E, Santos JC. Chapter 5 Understanding and using the electron localization function Theoretical and Computational Chemistry. 19: 57-85. DOI: 10.1016/S1380-7323(07)80006-9 |
0.738 |
|
| 2008 |
Jaramillo P, Domingo LR, Chamorro E, Pérez P. A further exploration of a nucleophilicity index based on the gas-phase ionization potentials Journal of Molecular Structure: Theochem. 865: 68-72. DOI: 10.1016/J.Theochem.2008.06.022 |
0.544 |
|
| 2007 |
Pintér B, De Proft F, Van Speybroeck V, Hemelsoet K, Waroquier M, Chamorro E, Veszprémi T, Geerlings P. Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicals. The Journal of Organic Chemistry. 72: 348-56. PMID 17221949 DOI: 10.1021/Jo0613885 |
0.448 |
|
| 2007 |
Rincón E, Pérez P, Chamorro E. Global and local reactivity of simple substituted nitrenes and phosphinidenes within the spin-polarized density functional theory framework Chemical Physics Letters. 448: 273-279. DOI: 10.1016/J.Cplett.2007.09.066 |
0.62 |
|
| 2007 |
Chamorro E, Notario R, Santos JC, Pérez P. A theoretical scale for pericyclic and pseudopericyclic reactions Chemical Physics Letters. 443: 136-140. DOI: 10.1016/J.Cplett.2007.06.025 |
0.703 |
|
| 2007 |
Islas R, Chamorro E, Robles J, Heine T, Santos JC, Merino G. Borazine: To be or not to be aromatic Structural Chemistry. 18: 833-839. DOI: 10.1007/S11224-007-9229-Z |
0.617 |
|
| 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 |
0.707 |
|
| 2007 |
Cár-Denas C, Chamorro E, Galván M, Fuentealba P. Nuclear Fukui functions from nonintegral electron number calculations International Journal of Quantum Chemistry. 107: 807-815. DOI: 10.1002/Qua.21202 |
0.578 |
|
| 2007 |
Fuentealba P, Chamorro E, Cárdenas C. Further exploration of the Fukui function, hardness, and other reactivity indices and its relationships within the Kohn-Sham scheme International Journal of Quantum Chemistry. 107: 37-45. DOI: 10.1002/Qua.21021 |
0.569 |
|
| 2006 |
Chamorro E, Pérez P, De Proft F, Geerlings P. Philicity indices within the spin-polarized density-functional theory framework. The Journal of Chemical Physics. 124: 044105. PMID 16460147 DOI: 10.1063/1.2161187 |
0.559 |
|
| 2006 |
Chamorro E, Santos JC, Escobar CA, Pérez P. Electrophilicity and spin polarization of simple substituted silylenes Chemical Physics Letters. 431: 210-215. DOI: 10.1016/J.Cplett.2006.09.072 |
0.679 |
|
| 2005 |
Chamorro E, Escobar CA, Sienra R, Pérez P. Empirical energy-density relationships applied to the analysis of the basicity of strong organic superbases. The Journal of Physical Chemistry. A. 109: 10068-76. PMID 16838926 DOI: 10.1021/Jp053646S |
0.578 |
|
| 2005 |
Cárdenas C, Chamorro E, Notario R. Nature of bonding in the cyclization reactions of (2-Ethynylphenyl)triazene and 2-Ethynylstyrene. The Journal of Physical Chemistry. A. 109: 4352-8. PMID 16833765 DOI: 10.1021/jp0500889 |
0.373 |
|
| 2005 |
Tiznado W, Chamorro E, Contreras R, Fuentealba P. Comparison among four different ways to condense the Fukui function. The Journal of Physical Chemistry. A. 109: 3220-4. PMID 16833651 DOI: 10.1021/Jp0450787 |
0.752 |
|
| 2005 |
Chamorro E, Pérez P. Condensed-to-atoms electronic Fukui functions within the framework of spin-polarized density-functional theory. The Journal of Chemical Physics. 123: 114107. PMID 16392551 DOI: 10.1063/1.2033689 |
0.588 |
|
| 2005 |
Chamorro E, De Proft F, Geerlings P. Hardness and softness reactivity kernels within the spin-polarized density-functional theory. The Journal of Chemical Physics. 123: 154104. PMID 16252939 DOI: 10.1063/1.2072907 |
0.382 |
|
| 2005 |
Chamorro E, De Proft F, Geerlings P. Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory. The Journal of Chemical Physics. 123: 084104. PMID 16164279 DOI: 10.1063/1.1996576 |
0.443 |
|
| 2005 |
Chamorro E, Duque M, Cárdenas C, Santos J, Tiznado W, Fuentealba P. Condensation of the highest occupied molecular orbital within the electron localization function domains Journal of Chemical Sciences. 117: 419-424. DOI: 10.1007/Bf02708345 |
0.776 |
|
| 2004 |
Bulat FA, Chamorro E, Fuentealba P, Toro-Labbé A. Condensation of Frontier Molecular Orbital Fukui Functions Journal of Physical Chemistry A. 108: 342-349. DOI: 10.1021/Jp036416R |
0.557 |
|
| 2004 |
Santos JC, Chamorro E, Contreras R, Fuentealba P. Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y Chemical Physics Letters. 383: 612-616. DOI: 10.1016/J.Cplett.2003.11.083 |
0.734 |
|
| 2003 |
Chamorro E, Chattaraj PK, Fuentealba P. Variation of the Electrophilicity Index along the Reaction Path. The Journal of Physical Chemistry. A. 107: 7068-72. PMID 26313132 DOI: 10.1021/Jp035435Y |
0.601 |
|
| 2003 |
Chamorro E, Fuentealba P, Savin A. Electron probability distribution in AIM and ELF basins. Journal of Computational Chemistry. 24: 496-504. PMID 12594792 DOI: 10.1002/Jcc.10242 |
0.625 |
|
| 2003 |
Chamorro E. A complementary view to the bonding pattern in the N5 + cation: An electron localization function and local temperature analysis Journal of the Chilean Chemical Society. 48: 63-67. DOI: 10.4067/S0717-97072003000400010 |
0.439 |
|
| 2003 |
Chamorro E. The nature of bonding in pericyclic and pseudopericyclic transition states: Thermal chelotropic decarbonylations Journal of Chemical Physics. 118: 8687-8698. DOI: 10.1063/1.1566740 |
0.461 |
|
| 2003 |
Notario R, Quijano J, León LA, Sánchez C, Camilo Quijano J, Alarcón G, Chamorro E, Chuchani G. Theoretical study of the gas-phase decomposition of neutral α-amino acid ethyl esters. Part 2 - Elimination of ethyl picolinate and ethyl 1-methylpipecolinate Journal of Physical Organic Chemistry. 16: 166-174. DOI: 10.1002/Poc.590 |
0.394 |
|
| 2002 |
Santos JC, Contreras R, Chamorro E, Fuentealba P. Local reactivity index defined through the density of states describes the basicity of alkaline-exchanged zeolites Journal of Chemical Physics. 116: 4311-4316. DOI: 10.1063/1.1449944 |
0.745 |
|
| 2002 |
Chamorro E, Santos JC, Gómez B, Contreras R, Fuentealba P. The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function Journal of Physical Chemistry A. 106: 11533-11539. DOI: 10.1021/Jp025958Q |
0.756 |
|
| 2002 |
Gómez B, Chattaraj PK, Chamorro E, Contreras R, Fuentealba P. A density functional study of the Claisen rearrangement of allyl aryl ether, allyl arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through reactivity and selectivity profiles Journal of Physical Chemistry A. 106: 11227-11233. DOI: 10.1021/Jp020437O |
0.666 |
|
| 2002 |
Aizman A, Contreras R, Galván M, Cedillo A, Santos JC, Chamorro E. The Markovnikov regioselectivity rule in the light of site activation models Journal of Physical Chemistry A. 106: 7844-7849. DOI: 10.1021/Jp020214Y |
0.692 |
|
| 2002 |
Notario R, Quijano J, Camilo Quijano J, Gutiérrez LP, Suárez WA, Sánchez C, León LA, Chamorro E. Theoretical study of the thermolysis reaction of Ethyl β-hydroxycarboxylates in the gas phase Journal of Physical Chemistry A. 106: 4377-4383. DOI: 10.1021/Jp020071F |
0.394 |
|
| 2002 |
Chamorro E, Toro-Labbe A, Fuentealba P. Theoretical study of intramolecular proton transfer reactions in some thiooxalic acid derivatives Journal of Physical Chemistry A. 106: 3891-3898. DOI: 10.1021/Jp0143185 |
0.604 |
|
| 2002 |
Quijano J, Notario R, Chamorro E, León LA, Sánchez C, Alarcón G, Quijano JC, Chuchani G. Theoretical study of the gas-phase decomposition of neutral α-amino acid ethyl esters. Part 1 - The elimination of N,N-dimethylglycine ethyl ester and ethyl 1-piperidineacetate Journal of Physical Organic Chemistry. 15: 413-419. DOI: 10.1002/Poc.516 |
0.393 |
|
| 2001 |
Chamorro E, Fuentealba P, Contreras R. Higher order derivatives for nuclear indexes in the framework of density functional theory Journal of Chemical Physics. 115: 6822-6826. DOI: 10.1063/1.1394755 |
0.702 |
|
| 2001 |
Chamorro E, Santos JC, Gómez B, Contreras R, Fuentealba P. Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene Journal of Chemical Physics. 114: 23-24. DOI: 10.1063/1.1328397 |
0.782 |
|
| 2001 |
Chattaraj PK, Gómez B, Chamorro E, Santos J, Fuentealba P. Scrutiny of the HSAB principle in some representative acid-base reactions Journal of Physical Chemistry A. 105: 8815-8820. DOI: 10.1021/Jp011767W |
0.671 |
|
| 2000 |
Chamorro E, Contreras R, Fuentealba P. Some relationships within the nonlocal (pair-site) chemical reactivity formalism of density functional theory Journal of Chemical Physics. 113: 10861-10866. DOI: 10.1063/1.1327265 |
0.695 |
|
| 1999 |
Chattaraj PK, Chamorro E, Fuentealba P. Chemical bonding and reactivity: a local thermodynamic viewpoint Chemical Physics Letters. 314: 114-121. DOI: 10.1016/S0009-2614(99)01114-8 |
0.545 |
|
| 1999 |
Chattaraj PK, Chamorro E, Fuentealba P. Chemical bonding and reactivity: A local thermodynamic viewpoint Chemical Physics Letters. 314: 114-121. DOI: 10.1016/S0009-2614(99)01114-8 |
0.656 |
|
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