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Journal of Computational Chemistry
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September 15, 2010
On the stability of metal-aminoacid complexes in water based on water-ligand exchange reactions and electronic properties: detailed study on iron-glycine hexacoordinated complexes
Marcos Mandado, M Natália D S Cordeiro
The Journal of Physical Chemistry. A
|
June 2, 2007
Nucleophilicity of indole derivatives: activating and deactivating effects based on proton affinities and electron density properties
Nicolás Otero, Marcos Mandado, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
October 22, 2005
Topological study of intramolecular hydrogen bonding in beta-hydroxyethylperoxy radical and beta-hydroxyethoxy radical along its dissociation pathway
Marcos Mandado, Ricardo A Mosquera, Christian Van Alsenoy
The Journal of Chemical Physics
|
December 3, 2008
Aromaticity in spin-polarized systems: can rings be simultaneously alpha aromatic and beta antiaromatic?
Marcos Mandado, Ana M Graña, Ignacio Pérez-Juste
The Journal of Physical Chemistry. A
|
July 13, 2006
Joint QTAIM and Hirshfeld study of the sigma and pi charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance model
Marcos Mandado, Christian Van Alsenoy, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
September 13, 2021
Tracking the Transition from Pericyclic to Pseudopericyclic Reaction Mechanisms Using Multicenter Electron Delocalization Analysis: The [1,3] Sigmatropic Rearrangement
Álvaro Pérez-Barcia, Ángeles Peña-Gallego, Marcos Mandado
Molecules (Basel, Switzerland)
|
July 30, 2025
Decoding the Architecture of Molecular Diodes: Rational Design for Ideal Rectification
Sara Gil-Guerrero, Nicolás Ramos-Berdullas, Marcos Mandado
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 24, 2025
α/β Conflicting Aromaticity Under the Microscope: Study of Pro-Aromatic Radicals
Raúl Lago-Saavedra, Ignacio Pérez-Juste, Marcos Mandado
Journal of Computational Chemistry
|
March 8, 2007
Chemical graph theory and n-center electron delocalization indices: a study on polycyclic aromatic hydrocarbons
Marcos Mandado, María J González-Moa, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
May 17, 2013
Aromaticity of closed-shell charged polybenzenoid hydrocarbons
Nicolás Ramos-Berdullas, Slavko Radenković, Patrick Bultinck, et al.
Page
of 6
Search research articles
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Showing results (11-20 of 53) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
September 15, 2010
On the stability of metal-aminoacid complexes in water based on water-ligand exchange reactions and electronic properties: detailed study on iron-glycine hexacoordinated complexes
Marcos Mandado, M Natália D S Cordeiro
The Journal of Physical Chemistry. A
|
June 2, 2007
Nucleophilicity of indole derivatives: activating and deactivating effects based on proton affinities and electron density properties
Nicolás Otero, Marcos Mandado, Ricardo A Mosquera
Physical Chemistry Chemical Physics : PCCP
|
October 22, 2005
Topological study of intramolecular hydrogen bonding in beta-hydroxyethylperoxy radical and beta-hydroxyethoxy radical along its dissociation pathway
Marcos Mandado, Ricardo A Mosquera, Christian Van Alsenoy
The Journal of Chemical Physics
|
December 3, 2008
Aromaticity in spin-polarized systems: can rings be simultaneously alpha aromatic and beta antiaromatic?
Marcos Mandado, Ana M Graña, Ignacio Pérez-Juste
The Journal of Physical Chemistry. A
|
July 13, 2006
Joint QTAIM and Hirshfeld study of the sigma and pi charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance model
Marcos Mandado, Christian Van Alsenoy, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
September 13, 2021
Tracking the Transition from Pericyclic to Pseudopericyclic Reaction Mechanisms Using Multicenter Electron Delocalization Analysis: The [1,3] Sigmatropic Rearrangement
Álvaro Pérez-Barcia, Ángeles Peña-Gallego, Marcos Mandado
Molecules (Basel, Switzerland)
|
July 30, 2025
Decoding the Architecture of Molecular Diodes: Rational Design for Ideal Rectification
Sara Gil-Guerrero, Nicolás Ramos-Berdullas, Marcos Mandado
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 24, 2025
α/β Conflicting Aromaticity Under the Microscope: Study of Pro-Aromatic Radicals
Raúl Lago-Saavedra, Ignacio Pérez-Juste, Marcos Mandado
Journal of Computational Chemistry
|
March 8, 2007
Chemical graph theory and n-center electron delocalization indices: a study on polycyclic aromatic hydrocarbons
Marcos Mandado, María J González-Moa, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
May 17, 2013
Aromaticity of closed-shell charged polybenzenoid hydrocarbons
Nicolás Ramos-Berdullas, Slavko Radenković, Patrick Bultinck, et al.
Page
of 6