Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
2026
Blue shifted push pull Phenalenone dyes: An unconventional behavior in membranes volume = 478 Artículo de revista
En: Journal of Photochemistry and Photobiology A: Chemistry, pp. 117188, 2026, ISSN: 1010-6030.
Positional isomers of π-extended phenolate-based inverted solvatochromic dyes: Shifting the inversion point by relocating the aryl spacer volume = 250 Artículo de revista
En: Dyes and Pigments, pp. 113635, 2026, ISSN: 0143-7208.
Electrostatic and geometric control of hydride transfer stereoselectivity in bridged pterins: A computational study volume = 1260 Artículo de revista
En: Computational and Theoretical Chemistry, pp. 115771, 2026, ISSN: 2210-271X.
A multi-objective optimization approach for the electric transit network design and frequency setting problem Artículo de revista
En: Applied Mathematical Modelling, vol. 154, pp. 116669, 2026, ISSN: 0307-904X.
Ligand-dependent stability and ORR/OER activity of single-layer metal-organic frameworks Artículo de revista
En: Electrochimica Acta, vol. 558, pp. 148589, 2026, ISSN: 0013-4686.
Computational modeling of ubiquitin specific protease7 (USP7) complexes with N-benzylpiperidinol derivatives incorporating binding site flexibility volume = 144 Artículo de revista
En: Journal of Molecular Graphics and Modelling, pp. 109272, 2026, ISSN: 1093-3263.
Mapping the morphology and thermal stability of AgCo nanoalloys: Composition-driven phase segregation and functional implications volume = 1061 Artículo de revista
En: Journal of Alloys and Compounds, pp. 187518, 2026, ISSN: 0925-8388.
Ab initio study of manufacturing routes of the Cantor high entropy alloys: Magnetic and thermodynamic properties volume = 46 Artículo de revista
En: Computational Condensed Matter, pp. e01256, 2026, ISSN: 2352-2143.
Genomic resilience to sequential environmental perturbations in two sympatric costal fish species volume = 216 Artículo de revista
En: Marine Environmental Research, pp. 107893, 2026, ISSN: 0141-1136.
Structure–property relationships governing metallic glass strength from atomistic simulations volume = 679 Artículo de revista
En: Journal of Non-Crystalline Solids, pp. 124023, 2026, ISSN: 0022-3093.
The Emergence of Children’s Rights in the Government of Children: A Case Study in Contemporary Chile ISSN = 1571-8182 Artículo de revista
En: The International Journal of Children's Rights, pp. 1-28, 2026.
Fluid Flow Effects on Permeability and Shear Stress in Gyroid Scaffolds for Tissue Engineering volume = 16 Artículo de revista
En: Applied Sciences, no 7, pp. 3304, 2026, ISSN: 2076-3417.
New self-consistent theoretical descriptions for mass-loss rates of O-type stars Artículo de revista
En: Astronomy & Astrophysics, vol. 707, pp. A196, 2026, ISSN: 1432-0746.
O©Li5 F5 2–: A Global Minimum with a Planar Pentacoordinate Oxygen ISSN = 1520-510X Artículo de revista
En: Inorganic Chemistry, 2026.
HistoXplaining in Style: Counterfactual Explanations for Histopathology Images using StyleGAN2-ADA ISSN = 1572-9419 Artículo de revista
En: Information Systems Frontiers, 2026.
Genetic Connectivity of Profilicollis altmani in Seabirds: Effects of Host Trophic Ecology on Chilean Coasts volume = 51 Artículo de revista
En: Austral Ecology, no 4, 2026, ISSN: 1442-9993.
Thiadiazole-furazan compounds: decomposition mechanism study by RMD and DFT ISSN = 1572-9001 Artículo de revista
En: Structural Chemistry, 2026.
Black hole merger rates in the first billion years in light of JWST data volume = 707 Artículo de revista
En: Astronomy & Astrophysics, pp. A360, 2026, ISSN: 1432-0746.
Computational and Chemical Analysis of the Oxygen Atom Transfer Process of a Dioxo–Molybdenum Complex Incorporated into a Modified UiO-67 (Zr/Ti) ISSN = 2694-247X Artículo de revista
En: ACS Organic & Inorganic Au, 2026.
A tradeoff for zebrafish skin microbiota colonization: changes in bacterial diversity throughout development ISSN = 1444-2906 Artículo de revista
En: Fisheries Science, 2026.
A Mechanistic, Architecture-Dependent Study Combining Experiments and Molecular Dynamics to Explain AMP Release from GO–PEI Coatings volume = 13 Artículo de revista
En: Bioengineering, no 3, pp. 341, 2026, ISSN: 2306-5354.
Synthesis of2-Aryl-4-aminoquinazolines: Design, Molecular Docking, and In Vitro Assessment of Antibacterial and Cytotoxic Potential volume = 27 Artículo de revista
En: International Journal of Molecular Sciences, no 6, pp. 2529, 2026, ISSN: 1422-0067.
Tuning gas transport properties via ortho-methyl substitution in spirobi[fluorene]-based polyimides: interplay of rigidity and free volume volume = 349 Artículo de revista
En: Polymer, pp. 129748, 2026, ISSN: 0032-3861.
Coexistence of Uniform and Dimerized Chains in Low-Dimensional NbS3 : Metallic vs Semiconducting Character ISSN = 1520-510X Artículo de revista
En: Inorganic Chemistry, 2026.
Isotopic effects in rotational de-excitation of H2CO isotopologues (HDCO and D2CO) by He at low temperatures Artículo de revista
En: Astronomy & Astrophysics, 2026, ISSN: 1432-0746.
Integrated experimental and theoretical study of CuO/ZnO nanocomposites for photocatalytic and supercapacitor applications volume = 84 Artículo de revista
En: Surfaces and Interfaces, pp. 108506, 2026, ISSN: 2468-0230.
Experimental study of shear thinning effects on solitary wave propagation: A Newtonian fluid comparison volume = 348 Artículo de revista
En: Journal of Non-Newtonian Fluid Mechanics, pp. 105560, 2026, ISSN: 0377-0257.
Very low-mass stars and their tidal disruption around a stellar mass black hole Artículo de revista
En: Astrophysics and Space Science, vol. 371, no 2, 2026, ISSN: 1572-946X.
MPNN-guided redesign of PET hydrolases with enhanced catalytic activity below the PET glass transition temperature Artículo de revista
En: 2026.
Spin-orbit coupled periodic Anderson model: Kondo-Dirac semimetal and orbital-selective antiferromagnetic semimetal Artículo de revista
En: Physical Review B, vol. 113, no 8, 2026, ISSN: 2469-9969.
Exclusive photoproduction of χcγ pairs in the small-x kinematics Artículo de revista
En: Physical Review D, vol. 113, no 3, 2026, ISSN: 2470-0029.
Metal-loaded outflows in sub-Milky Way galaxies in the CIELO simulations volume = 706 Artículo de revista
En: Astronomy & Astrophysics, pp. A274, 2026, ISSN: 1432-0746.
Kinetic‐Based Macro‐Modeling of the Solar Wind at Large Heliocentric Distances: Kappa Electrons at the Exobase volume = 131 Artículo de revista
En: Journal of Geophysical Research: Space Physics, no 2, 2026, ISSN: 2169-9402.
Ultrafast Cation–Dication Dynamics in Ammonia Borane: H-Migration to Roaming H2 and Reduced H3 + Formation under Strong-Field Ionization volume = 130 Artículo de revista
En: The Journal of Physical Chemistry A, no 9, pp. 1780-1789, 2026, ISSN: 1520-5215.
Very low-mass stars and their tidal disruption around a stellar mass black hole volume = 371 Artículo de revista
En: Astrophysics and Space Science, no 2, 2026, ISSN: 1572-946X.
En: Pharmaceuticals, no 3, pp. 381, 2026, ISSN: 1424-8247.
Superconducting diode effect in a meso-wedge geometry with Abrikosov vortices volume = 9 Artículo de revista
En: SciPost Physics Core, no 1, 2026, ISSN: 2666-9366.
A Multi-Method Antarctic Atmospheric Blocking Dataset (1979–2024) url = https://doi.org/10.5194/essd-2026-55 Artículo de revista
En: 2026.
Evaluation of Planar‐ and Bowl‐Shaped Metallophosphaporphyrins. Inclusion of Steric Effects in P4‐Metalloporphyrins Counterparts volume = 9 Artículo de revista
En: Advanced Theory and Simulations, no 2, 2026, ISSN: 2513-0390.
Selenium-modified graphene oxide: A tri-dimensional study of its cytotoxicity and developmental effects Artículo de revista
En: Materials Today Bio, vol. 36, pp. 102650, 2026, ISSN: 2590-0064.
Insights into amorphous silicon nanoparticle impacts on crystalline silicon through molecular dynamics volume = 192 Artículo de revista
En: Journal of Aerosol Science, pp. 106738, 2026, ISSN: 0021-8502.
Mechanochromic emission in ternary CB[8]TPA2 array. Insights into the role of host-interaction nature Artículo de revista
En: Dyes and Pigments, vol. 245, pp. 113214, 2026, ISSN: 0143-7208.
Entropy and Information is Transferred from Peripherical Sites to the Catalytic Sites of Enzymes url = https://arxiv.org/abs/2603.20469 Artículo de revista
En: arXiv, 2026.
Magneto-structural and theoretical insights into Ni2 Dy2 butterfly single-molecule magnets with diverse anionic co-ligands volume = 55 Artículo de revista
En: Dalton Transactions, no 11, pp. 4495-4508, 2026, ISSN: 1477-9234.
From local to global or semilocal aromaticity: singlet–triplet switching in porphyrin tapes ISSN = 1364-548X Artículo de revista
En: Chemical Communications, 2026.
Planar tetracoordinate nitrogen in main-group cationic clusters ISSN = 1463-9084 Artículo de revista
En: Physical Chemistry Chemical Physics, 2026.
Tunable Nd3+ dimer luminescent molecular thermometer via Stark sublevels ISSN = 2052-1553 Artículo de revista
En: Inorganic Chemistry Frontiers, 2026.
Constraints on the odderon amplitude in the CGC framework url = https://arxiv.org/abs/2603.02394 Artículo de revista
En: arXiv, 2026.
Synthesis, Structure, and Reactivity of a Magnesium(0) Complex with a Polarized Mg δ− ─Ca δ+ Bond ISSN = 1521-3773 Artículo de revista
En: Angewandte Chemie International Edition, 2026.
Chemical Profiling and Cheminformatic Insights into Piper Essential Oils as Sustainable Antimicrobial Agents Against Pathogens of Cocoa Crops volume = 31 Artículo de revista
En: Molecules, no 2, pp. 326, 2026, ISSN: 1420-3049.
Scour‐Conditioned Seismic Fragility Analysis of Monopile‐Supported Offshore Wind Turbines ISSN = 1096-9845 Artículo de revista
En: Earthquake Engineering & Structural Dynamics, 2026.
The mass-metallicity relation of bulges volume = 705 Artículo de revista
En: Astronomy & Astrophysics, pp. A87, 2026, ISSN: 1432-0746.
Discovery and Preliminary Characterization of Lactose-Transforming Enzymes in Ewingella americana L47: A Genomic, Biochemical, and In Silico Approach volume = 27 Artículo de revista
En: International Journal of Molecular Sciences, no 2, pp. 1128, 2026, ISSN: 1422-0067.
Electronic Structure Descriptors for the Adsorption of Aromatic Molecules on Metals ISSN = 1520-5002 Artículo de revista
En: Chemistry of Materials, 2026.
The ALMA survey to Resolve exoKuiper belt Substructures (ARKS) volume = 705 Artículo de revista
En: Astronomy & Astrophysics, pp. A203, 2026, ISSN: 1432-0746.
Exploration of the interaction strength at the interface of neutral chalcogen ligands and gold surfaces volume = 16 Artículo de revista
En: RSC Advances, no 5, pp. 4335-4346, 2026, ISSN: 2046-2069.
A Computational Tool and Web Server for the Prediction of Obesity Drugs Artículo de revista
En: Obesity, 2026, ISSN: 1930-739X.
Advancing Ozone Forecasting in High-Altitude Tropical Cities: A WRF-Chem Application for Quito, Ecuador ISSN = 1309-1042 Artículo de revista
En: Atmospheric Pollution Research, pp. 102925, 2026.
Computational modeling of ubiquitin specific protease7 (USP7) complexes with N-benzylpiperidinol derivatives incorporating binding site flexibility volume = 144 Artículo de revista
En: Journal of Molecular Graphics and Modelling, pp. 109272, 2026, ISSN: 1093-3263.
OBE ‐ DB : A Computational Tool and Web Server for the Prediction of Obesity Drugs ISSN = 1930-739X Artículo de revista
En: Obesity, 2026.
Experimental study of shear thinning effects on solitary wave propagation: A Newtonian fluid comparison volume = 348 Artículo de revista
En: Journal of Non-Newtonian Fluid Mechanics, pp. 105560, 2026, ISSN: 0377-0257.
Accurate haplotype-resolved de novo assembly of human genomes with RFhap Artículo de revista
En: 2026.
Evaluation of Planar‐ and Bowl‐Shaped Metallophosphaporphyrins. Inclusion of Steric Effects in P4‐Metalloporphyrins Counterparts volume = 9 Artículo de revista
En: Advanced Theory and Simulations, no 2, 2026, ISSN: 2513-0390.
Integrated experimental and theoretical study of CuO/ZnO nanocomposites for photocatalytic and supercapacitor applications volume = 84 Artículo de revista
En: Surfaces and Interfaces, pp. 108506, 2026, ISSN: 2468-0230.
Structure–property relationships governing metallic glass strength from atomistic simulations volume = 679 Artículo de revista
En: Journal of Non-Crystalline Solids, pp. 124023, 2026, ISSN: 0022-3093.
Positional isomers of π-extended phenolate-based inverted solvatochromic dyes: Shifting the inversion point by relocating the aryl spacer volume = 250 Artículo de revista
En: Dyes and Pigments, pp. 113635, 2026, ISSN: 0143-7208.
Genomic resilience to sequential environmental perturbations in two sympatric costal fish species volume = 216 Artículo de revista
En: Marine Environmental Research, pp. 107893, 2026, ISSN: 0141-1136.
A Multi-Method Antarctic Atmospheric Blocking Dataset (1979–2024) url = https://doi.org/10.5194/essd-2026-55 Artículo de revista
En: 2026.
Superconducting diode effect in a meso-wedge geometry with Abrikosov vortices volume = 9 Artículo de revista
En: SciPost Physics Core, no 1, 2026, ISSN: 2666-9366.
En: Pharmaceuticals, no 3, pp. 381, 2026, ISSN: 1424-8247.
Enhancing Drug Repurposing with Consensus Docking: Discovery of Novel Discoidin Domain Receptor1 Inhibitors volume = 21 Artículo de revista
En: ChemMedChem, no 2, 2026, ISSN: 1860-7187.
Very low-mass stars and their tidal disruption around a stellar mass black hole volume = 371 Artículo de revista
En: Astrophysics and Space Science, no 2, 2026, ISSN: 1572-946X.
New self-consistent theoretical descriptions for mass-loss rates of O-type stars url = https://arxiv.org/abs/2602.16526 Artículo de revista
En: arXiv, 2026.
Isotopic effects in rotational de-excitation of H2CO isotopologues (HDCO and D2CO) by He at low temperatures Artículo de revista
En: Astronomy & Astrophysics, 2026, ISSN: 1432-0746.
Kinetic energy fluctuations and specific heat in generalized ensembles url = https://arxiv.org/abs/2603.02168 Artículo de revista
En: arXiv, 2026.
Coexistence of Uniform and Dimerized Chains in Low-Dimensional NbS3 : Metallic vs Semiconducting Character ISSN = 1520-510X Artículo de revista
En: Inorganic Chemistry, 2026.
Constraints on the odderon amplitude in the CGC framework url = https://arxiv.org/abs/2603.02394 Artículo de revista
En: arXiv, 2026.
Ligand-dependent stability and ORR/OER activity of single-layer metal-organic frameworks Artículo de revista
En: Electrochimica Acta, vol. 558, pp. 148589, 2026, ISSN: 0013-4686.
Tuning gas transport properties via ortho-methyl substitution in spirobi[fluorene]-based polyimides: interplay of rigidity and free volume volume = 349 Artículo de revista
En: Polymer, pp. 129748, 2026, ISSN: 0032-3861.
Ultrafast Cation–Dication Dynamics in Ammonia Borane: H-Migration to Roaming H2 and Reduced H3 + Formation under Strong-Field Ionization volume = 130 Artículo de revista
En: The Journal of Physical Chemistry A, no 9, pp. 1780-1789, 2026, ISSN: 1520-5215.
Kinetic‐Based Macro‐Modeling of the Solar Wind at Large Heliocentric Distances: Kappa Electrons at the Exobase volume = 131 Artículo de revista
En: Journal of Geophysical Research: Space Physics, no 2, 2026, ISSN: 2169-9402.
Metal-loaded outflows in sub-Milky Way galaxies in the CIELO simulations volume = 706 Artículo de revista
En: Astronomy & Astrophysics, pp. A274, 2026, ISSN: 1432-0746.
Exclusive photoproduction of χcγ pairs in the small-x kinematics Artículo de revista
En: Physical Review D, vol. 113, no 3, 2026, ISSN: 2470-0029.
Synthesis of2-Aryl-4-aminoquinazolines: Design, Molecular Docking, and In Vitro Assessment of Antibacterial and Cytotoxic Potential volume = 27 Artículo de revista
En: International Journal of Molecular Sciences, no 6, pp. 2529, 2026, ISSN: 1422-0067.
Tunable Nd3+ dimer luminescent molecular thermometer via Stark sublevels ISSN = 2052-1553 Artículo de revista
En: Inorganic Chemistry Frontiers, 2026.
Planar tetracoordinate nitrogen in main-group cationic clusters ISSN = 1463-9084 Artículo de revista
En: Physical Chemistry Chemical Physics, 2026.
Blue shifted push pull Phenalenone dyes: An unconventional behavior in membranes volume = 478 Artículo de revista
En: Journal of Photochemistry and Photobiology A: Chemistry, pp. 117188, 2026, ISSN: 1010-6030.
From local to global or semilocal aromaticity: singlet–triplet switching in porphyrin tapes ISSN = 1364-548X Artículo de revista
En: Chemical Communications, 2026.
Ab initio study of manufacturing routes of the Cantor high entropy alloys: Magnetic and thermodynamic properties volume = 46 Artículo de revista
En: Computational Condensed Matter, pp. e01256, 2026, ISSN: 2352-2143.
Spin-orbit coupled periodic Anderson model: Kondo-Dirac semimetal and orbital-selective antiferromagnetic semimetal Artículo de revista
En: Physical Review B, vol. 113, no 8, 2026, ISSN: 2469-9969.
MPNN-guided redesign of PET hydrolases with enhanced catalytic activity below the PET glass transition temperature Artículo de revista
En: 2026.
A Mechanistic, Architecture-Dependent Study Combining Experiments and Molecular Dynamics to Explain AMP Release from GO–PEI Coatings volume = 13 Artículo de revista
En: Bioengineering, no 3, pp. 341, 2026, ISSN: 2306-5354.
Electrostatic and geometric control of hydride transfer stereoselectivity in bridged pterins: A computational study volume = 1260 Artículo de revista
En: Computational and Theoretical Chemistry, pp. 115771, 2026, ISSN: 2210-271X.
Mapping the morphology and thermal stability of AgCo nanoalloys: Composition-driven phase segregation and functional implications volume = 1061 Artículo de revista
En: Journal of Alloys and Compounds, pp. 187518, 2026, ISSN: 0925-8388.
Very low-mass stars and their tidal disruption around a stellar mass black hole Artículo de revista
En: Astrophysics and Space Science, vol. 371, no 2, 2026, ISSN: 1572-946X.