Marcos Mandado
Orcid: 0000-0001-9688-2658Affiliations:
- University of Vigo, Department of Physical Chemistry, Spain
According to our database1,
Marcos Mandado
authored at least 10 papers
between 2006 and 2023.
Collaborative distances:
Collaborative distances:
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Bibliography
2023
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis.
J. Chem. Inf. Model., February, 2023
J. Comput. Chem., February, 2023
2021
A Highly Efficient Neutral Anion Receptor in Polar Environments by Synergy of Anion-π Interactions and Hydrogen Bonding.
J. Chem. Inf. Model., 2021
2019
Potential Application of h-BNC Structures in SERS and SEHRS Spectroscopies: A Theoretical Perspective.
Sensors, 2019
2014
Analyzing the electric response of molecular conductors using "electron deformation" orbitals and occupied-virtual electron transfer.
J. Comput. Chem., 2014
2012
J. Comput. Chem., 2012
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.
J. Comput. Chem., 2010
2007
Chemical graph theory and <i>n</i>-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons.
J. Comput. Chem., 2007
QTAIM <i>n</i>-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles.
J. Comput. Chem., 2007
2006
Do the Neighboring Residues in a Polypeptide Affect the Electron Distribution of an Amino Acid Significantly? A Quantitative Study Using the Quantum Theory of Atoms in Molecules (QTAIM).
J. Chem. Inf. Model., 2006