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Mario Alberto Duque Noreña
Mario Alberto Duque Noreña
Universidad Andrés Bello
Keine bestätigte E-Mail-Adresse
Titel
Zitiert von
Zitiert von
Jahr
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
P Pérez, LR Domingo, M Duque-Noreña, E Chamorro
Journal of Molecular Structure: THEOCHEM 895 (1-3), 86-91, 2009
2252009
A comparison between theoretical and experimental models of electrophilicity and nucleophilicity
E Chamorro, M Duque-Noreña, P Pérez
Journal of Molecular Structure: THEOCHEM 896 (1-3), 73-79, 2009
742009
Dual descriptors within the framework of spin-polarized density functional theory
E Chamorro, P Pérez, M Duque, F De Proft, P Geerlings
The Journal of chemical physics 129 (6), 2008
652008
Further relationships between theoretical and experimental models of electrophilicity and nucleophilicity
E Chamorro, M Duque-Noreña, P Pérez
Journal of Molecular Structure: THEOCHEM 901 (1-3), 145-152, 2009
412009
A close look to the oxaphosphetane formation along the Wittig reaction: A [2+ 2] cycloaddition?
E Chamorro, M Duque-Noreña, N Gutierrez-Sánchez, E Rincón, ...
The Journal of Organic Chemistry 85 (10), 6675-6686, 2020
372020
Intrinsic relative scales of electrophilicity and nucleophilicity
E Chamorro, M Duque-Noreña, R Notario, P Pérez
The Journal of Physical Chemistry A 117 (12), 2636-2643, 2013
272013
Are There Only Fold Catastrophes in the Diels–Alder Reaction Between Ethylene and 1, 3-Butadiene?
L Ayarde-Henríquez, C Guerra, M Duque-Noreña, E Rincón, P Pérez, ...
The Journal of Physical Chemistry A 125 (23), 5152-5165, 2021
262021
Dual Emission of a Novel (P,N) ReI Complex: A Computational and Experimental Study on [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br]
N Pizarro, M Duque, E Chamorro, S Nonell, J Manzur, JR de la Fuente, ...
The Journal of Physical Chemistry A 119 (17), 3929-3935, 2015
252015
Understanding the carbenoid-type reactivity of nitrile ylides in [3+2] cycloaddition reactions towards electron-deficient ethylenes: a molecular electron density …
LR Domingo, M Ríos-Gutiérrez, M Duque-Noreña, E Chamorro, P Pérez
Theoretical Chemistry Accounts 135, 1-12, 2016
242016
Unraveling the Bonding Nature Along the Photochemically Activated Paterno‐Büchi Reaction Mechanism
C Guerra, L Ayarde‐Henríquez, M Duque‐Noreña, E Chamorro
ChemPhysChem 22 (22), 2342-2351, 2021
182021
Condensation of the highest occupied molecular orbital within the electron localization function domains
E Chamorro, M Duque, C Cárdenas, J Santos, W Tiznado, P Fuentealba
Journal of Chemical Sciences 117, 419-424, 2005
182005
On electron pair rearrangements in photochemical reactions: 1, 3-cyclohexadiene ring opening
C Guerra, L Ayarde-Henríquez, M Duque-Norena, E Chamorro
The Journal of Physical Chemistry A 126 (3), 395-405, 2021
172021
On the nature of bonding in the photochemical addition of two ethylenes: C–C bond formation in the excited state?
C Guerra, L Ayarde-Henriquez, M Duque-Noreña, C Cárdenas, P Pérez, ...
Physical Chemistry Chemical Physics 23 (36), 20598-20606, 2021
172021
Photochemically induced 1, 3‐butadiene ring‐closure from the topological analysis of the electron localization function viewpoint
C Guerra, L Ayarde‐Henríquez, M Duque‐Noreña, E Chamorro
ChemPhysChem 23 (16), e202200217, 2022
112022
Spin-polarized reactivity indices from density functional theory: theory and applications
F De Proft, E Chamorro, P Pérez, M Duque, F De Vleeschouwer, ...
112009
Unraveling the role of the electron-pair density symmetry in reaction mechanism patterns: the Newman–Kwart rearrangement
L Ayarde-Henríquez, C Guerra, M Duque-Noreña, E Chamorro
New Journal of Chemistry 46 (25), 12002-12009, 2022
102022
Understanding the thermal dehydrochlorination reaction of 1-chlorohexane. Revealing the driving bonding pattern at the planar catalytic reaction center
L López, P Ruiz, M Castro, J Quijano, M Duque-Noreña, P Pérez, ...
RSC advances 5 (77), 62946-62956, 2015
102015
Understanding the Highly Varying pKa of Arylamines. A Perspective from the Average Local Ionization Condensed-to-Atom Framework
E Chamorro, M Duque-Norena
The Journal of Physical Chemistry A 119 (29), 8156-8162, 2015
92015
Theoretical investigation of the selectivity in intramolecular cyclizations of some 2’–aminochalcones to dihydroquinolin–8–ones and indolin–3–ones
A Reyes, PA Cuervo, F Orozco, R Abonia, M Duque-Noreña, P Pérez, ...
Journal of molecular modeling 19, 3611-3618, 2013
92013
On the Notation of Catastrophes in the Framework of Bonding Evolution Theory: Case of Normal and Inverse Electron Demand Diels‐Alder Reactions
L Ayarde‐Henríquez, C Guerra, M Duque‐Noreña, E Rincón, P Pérez, ...
ChemPhysChem 23 (21), e202200343, 2022
82022
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