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David Arias-Olivares
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Effects of the acceptor unit in dyes with acceptor–bridge–donor architecture on the electron photo-injection mechanism and aggregation in DSSCs
X Zarate, F Claveria-Cadiz, D Arias-Olivares, A Rodriguez-Serrano, ...
Physical Chemistry Chemical Physics 18 (35), 24239-24251, 2016
242016
NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems
D Arias-Olivares, EK Wieduwilt, J Contreras-García, A Genoni
Journal of chemical theory and computation 15 (11), 6456-6470, 2019
232019
14 Visualizing non-covalent interactions with NCIPLOT
R Laplaza, F Peccati, D Arias-Olivares, J Contreras-García
Complementary Bonding Analysis, 353, 2021
21*2021
Analysis of the electronic delocalization in some isoelectronic analogues of B 12 doped with beryllium and/or carbon
R Islas, D Inostroza, D Arias-Olivares, B Zúñiga-Gutiérrez, J Poater, ...
Physical Chemistry Chemical Physics, 2020
142020
The role of Cr, Mo and W in the electronic delocalization and the metal–ring interaction in metallocene complexes
D Arias-Olivares, D Páez-Hernández, R Islas
New Journal of Chemistry 42 (7), 5334-5344, 2018
92018
Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study
N Inostroza, D Mardones, J Cernicharo, H Zinnecker, J Ge, N Aria, ...
Astronomy & Astrophysics 629, A28, 2019
82019
In Silico Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes
D Arias-Olivares, A Becerra-Buitrago, LC García-Sánchez, R Islas
ACS omega 6 (14), 9887-9897, 2021
4*2021
Synthesis, characterization, in-vitro biological evaluation and theoretical studies of 1, 2, 3-triazoles derived from triclosan as difenoconazole analogues
J Suárez-García, MA Cano-Herrera, A María-Gaviria, ...
Journal of Molecular Structure 1280, 135053, 2023
22023
Theoretical approach to the one-step versus two-step spin transitions in Hofmann-like FeII SCO metal-organic frameworks
D Arias-Olivares, R Sánchez-de-Armas, CJ Calzado
Materials Today Chemistry 30, 101489, 2023
12023
Metallaborazines: To Be or Not To Be Delocalized
R Islas, D Arias-Olivares, A Becerra-Buitrago, LC García-Sánchez, ...
ACS omega 6 (30), 19629-19641, 2021
12021
In Silico Analysis of the Aromaticity of Some Carbo-Metallabenzenes and Carbo-Dimetallabenzenes (Carbo-mers Proposed from Metallabenzenes)
D Arias-Olivares, A Becerra-Buitrago, LC García-Sánchez, DV Moreno, ...
ACS Omega, 2024
2024
New Developments in the Non Covalent Interaction (NCI) Index
T Novoa, F Peccati, M Alonso, D Arias-Olivares, H Bohorquez, ...
Elsevier, 2023
2023
The spin–orbit effects on platinabenzene: a ring current and electron delocalization approach
D Arias-Olivares, D Páez-Hernández
New Journal of Chemistry 46 (35), 16708-16716, 2022
2022
NCI-ELMO: towards a more quantitative description of non-covalent interactions in macromolecules
EK Wieduwilt, R Laplaza, G Macetti, D Arias-Olivares, F Peccati, ...
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 77, C120-C120, 2021
2021
Relation Among Localization, Delocalization and Physicochemical Properties. From Electron Density Databases to Magnetic Properties
D Arias Olivares
Sorbonne université, 2019
2019
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