Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
2025
Tidal energy resource assessment in the Strait of Magellan in the Chilean Patagonia Artículo de revista
En: Renewable Energy, vol. 252, pp. 123430, 2025, ISSN: 0960-1481.
Effect of temperature on the degradation of mechanical properties in ZrNb metallic glass Artículo de revista
En: Journal of Non-Crystalline Solids, vol. 666, pp. 123617, 2025, ISSN: 0022-3093.
Elucidating OASL-RNA Interactions: Structural and energetic insights into vault RNAs binding Artículo de revista
En: Journal of Molecular Graphics and Modelling, vol. 139, pp. 109071, 2025, ISSN: 1093-3263.
Exploring solid-state supramolecular architectures of pyrimidine-based Ag-1D coordination polymers: Experimental observations and theoretical insights Artículo de revista
En: Journal of Molecular Structure, vol. 1339, pp. 142387, 2025, ISSN: 0022-2860.
Integrated model of sequential anaerobic and algal membrane bioreactor (A2MBR) system for wastewater reuse and resource recovery Artículo de revista
En: Bioresource Technology, vol. 429, pp. 132506, 2025, ISSN: 0960-8524.
From sewage to genomes: Expanding our understanding of the urban and semi-urban wastewater RNA virome Artículo de revista
En: Environmental Research, vol. 276, pp. 121509, 2025, ISSN: 0013-9351.
En: Astronomy and Computing, vol. 52, pp. 100941, 2025, ISSN: 2213-1337.
Lignosulfonate-based adsorbents for selective Mg2+ removal from Mg2+/Li+ mixture in water with high efficiency and reusability Artículo de revista
En: Separation and Purification Technology, vol. 362, pp. 131828, 2025, ISSN: 1383-5866.
Theoretical Study of Cu Carbenoids in C–H Activation Reactions: The Interplay between Metal Back-Donation and Electrophilicity of the Carbon Artículo de revista
En: The Journal of Physical Chemistry A, 2025, ISSN: 1520-5215.
Bayesian model selection for analyzing predictor-dependent directional data Artículo de revista
En: Statistics and Computing, vol. 35, no 5, 2025, ISSN: 1573-1375.
STELLAR Enables CPU-Based Fragment Docking and Reconstruction of Large Peptides Without AI Assistance Artículo de revista
En: 2025.
Adsorption of Hg(II) from aqueous solutions on β-zeolite: Theoretical-experimental proposal for the surface interaction mechanism and the formation of metal complexes Artículo de revista
En: Microporous and Mesoporous Materials, vol. 392, pp. 113642, 2025, ISSN: 1387-1811.
The CIELO project: The chemo-dynamical properties of galaxies and the cosmic web Artículo de revista
En: Astronomy & Astrophysics, vol. 697, pp. A134, 2025, ISSN: 1432-0746.
Machine Learning for the Prediction of Thermodynamic Properties in Amorphous Silicon Artículo de revista
En: Applied Sciences, vol. 15, no 10, pp. 5574, 2025, ISSN: 2076-3417.
Combining Low‐Valent AlI and SnII Metal Centers for Small Molecule Activation Artículo de revista
En: European Journal of Inorganic Chemistry, vol. 28, no 16, 2025, ISSN: 1099-0682.
Targeting Drug Resistance in Cancer: Dimethoxycurcumin as a Functional Antioxidant Targeting ABCC3 Artículo de revista
En: Antioxidants, vol. 14, no 5, pp. 599, 2025, ISSN: 2076-3921.
A machine-learning approach for predicting butyrate production by microbial consortia using metabolic network information Artículo de revista
En: PeerJ, vol. 13, pp. e19296, 2025, ISSN: 2167-8359.
State-to-state rotational rate coefficients for the OCS+H2 collision at low temperatures Artículo de revista
En: Astronomy & Astrophysics, 2025, ISSN: 1432-0746.
Controlling vortex matter via a superconducting nano-bridge sample Artículo de revista
En: Applied Physics A, vol. 131, no 6, 2025, ISSN: 1432-0630.
CuZr metallic glasses under tensile cyclic loading: inspection of Z cluster networks Artículo de revista
En: Physica Scripta, vol. 100, no 6, pp. 065921, 2025, ISSN: 1402-4896.
Desert-adapted tomato Solanum pennellii exhibit unique regulatory elements and stress-ready transcriptome patterns to drought Artículo de revista
En: PLOS One, vol. 20, no 5, pp. e0324724, 2025, ISSN: 1932-6203.
En: Pharmaceuticals, vol. 18, no 5, pp. 733, 2025, ISSN: 1424-8247.
Investigation of the amorphous structure and hydrogen-induced mechanical behavior in V-Al alloys Artículo de revista
En: Physica Scripta, 2025, ISSN: 1402-4896.
3, 3′-((3-Hydroxyphenyl)azanediyl)dipropionic Acid Derivatives as a Promising Scaffold Against Drug-Resistant Pathogens and Chemotherapy-Resistant Cancer Artículo de revista
En: Pathogens, vol. 14, no 5, pp. 484, 2025, ISSN: 2076-0817.
Tension-compression asymmetry in nanoporous metallic glasses: insights from molecular dynamics simulations Artículo de revista
En: Applied Physics A, vol. 131, no 6, 2025, ISSN: 1432-0630.
Anti-thermal quenching in NdIII molecular near-infrared thermometers operating at physiological temperatures Artículo de revista
En: Communications Chemistry, vol. 8, no 1, 2025, ISSN: 2399-3669.
Multiobjective Evolutionary Strategy for Improving Semiempirical Hamiltonians in the Study of Enzymatic Reactions at the QM/MM Level of Theory Artículo de revista
En: Journal of Chemical Theory and Computation, 2025, ISSN: 1549-9626.
Mechanism and Origin of Regioselectivity in the Phosphine-Catalyzed Heine Reaction Artículo de revista
En: The Journal of Organic Chemistry, 2025, ISSN: 1520-6904.
Microcanonical Monte Carlo simulation of opinion dynamics under the influence of mass media Artículo de revista
En: Physica A: Statistical Mechanics and its Applications, vol. 666, pp. 130516, 2025, ISSN: 0378-4371.
Exploration of lithium brine purification via simultaneous extraction of magnesium and boron using novel ionic liquids: A theoretical and experimental molecular study Artículo de revista
En: Journal of Molecular Liquids, vol. 425, pp. 127193, 2025, ISSN: 0167-7322.
Transformer Models improve the acoustic recognition of buzz-pollinating bee species Artículo de revista
En: Ecological Informatics, vol. 86, pp. 103010, 2025, ISSN: 1574-9541.
Impact-Induced Plastic Deformation in CuZr Metallic Glass and MG/Cu Composites Artículo de revista
En: Inorganics, vol. 13, no 5, pp. 141, 2025, ISSN: 2304-6740.
Hollow silver nanoparticle formation under ultrafast laser irradiation via single- and multiple-shots Artículo de revista
En: The Journal of Chemical Physics, vol. 162, no 15, 2025, ISSN: 1089-7690.
Discovery of Z1362873773: a novel fascin inhibitor from a large chemical library for colorectal cancer Artículo de revista
En: Scientific Reports, vol. 15, no 1, 2025, ISSN: 2045-2322.
Extended Scenarios for Solar Radio Emissions With Downshifted Electron Beam Plasma Excitations Artículo de revista
En: Journal of Geophysical Research: Space Physics, vol. 130, no 5, 2025, ISSN: 2169-9402.
Theoretical conformational analysis of cross-linking bonds in fungal hydrophobin from Aspergillus fumigatus Artículo de revista
En: Journal of Biomolecular Structure and Dynamics, pp. 1–10, 2025, ISSN: 1538-0254.
New insight into the variability of the Be star π Aquarii: Determination of stellar and disk parameters Artículo de revista
En: Astronomy & Astrophysics, 2025, ISSN: 1432-0746.
Oxazol‐Fused Phenalenones: Tuning Fluorescence and Singlet Oxygen Generation with Solvent and Substituent Artículo de revista
En: Chemistry – An Asian Journal, 2025, ISSN: 1861-471X.
Targeting Drug Resistance in Cancer: Dimethoxycurcumin as a Functional Antioxidant Targeting ABCC3 Artículo de revista
En: 2025.
A complex multisystem disorder including hypopituitarism and hypoparathyroidism, associated with mutation in the gene encoding fatty acid synthase (FASN) Artículo de revista
En: Metabolism, pp. 156256, 2025, ISSN: 0026-0495.
s-Block Metal-Lanthanide Bonding: Direct Comparison of Mg–Yb and Mg–Ca Complexes Artículo de revista
En: Journal of the American Chemical Society, 2025, ISSN: 1520-5126.
Oligothiophene-Based Photovoltaic Materials for Organic Solar Cells: Exciton Properties by the CNDOL Fockian Approach Artículo de revista
En: The Journal of Physical Chemistry A, 2025, ISSN: 1520-5215.
Temperature effects on the strength of a nanocrystalline refractory high entropy alloy Artículo de revista
En: International Journal of Refractory Metals and Hard Materials, vol. 128, pp. 107038, 2025, ISSN: 0263-4368.
Metal-catalyzed decarboxylation of oxaloacetic acid studied in silico and in vitro, implications for enzymatic and prebiotic catalysis Artículo de revista
En: Journal of Molecular Structure, vol. 1326, pp. 141105, 2025, ISSN: 0022-2860.
Intrinsic inverse band gap versus polarization relation in ferroelectric materials Artículo de revista
En: Physical Review Materials, vol. 9, no 3, 2025, ISSN: 2475-9953.
En: Scientia Horticulturae, vol. 343, pp. 114099, 2025, ISSN: 0304-4238.
En: Physical Review D, vol. 111, no 5, 2025, ISSN: 2470-0029.
Convection, but How Fast Does Fluid Mix in Hydrothermal Systems? Artículo de revista
En: Geophysical Research Letters, vol. 52, no 5, 2025, ISSN: 1944-8007.
Photoproduction of Heavy Meson and Photon Pairs Artículo de revista
En: Particles, vol. 8, no 1, pp. 23, 2025, ISSN: 2571-712X.
Theoretical analysis of Capsicum annuum as Natural sensitizer in Dye Sensitized Solar Cell using periodic DFT and TD-DFT. Artículo de revista
En: Physica B: Condensed Matter, pp. 417178, 2025, ISSN: 0921-4526.
Desert-adapted tomato Solanum pennellii exhibit unique regulatory elements and stress-ready transcriptome patterns to drought Artículo de revista
En: PLOS One, vol. 20, no 5, pp. e0324724, 2025, ISSN: 1932-6203.
CuZr metallic glasses under tensile cyclic loading: inspection of Z cluster networks Artículo de revista
En: Physica Scripta, vol. 100, no 6, pp. 065921, 2025, ISSN: 1402-4896.
Controlling vortex matter via a superconducting nano-bridge sample Artículo de revista
En: Applied Physics A, vol. 131, no 6, 2025, ISSN: 1432-0630.
Hollow silver nanoparticle formation under ultrafast laser irradiation via single- and multiple-shots Artículo de revista
En: The Journal of Chemical Physics, vol. 162, no 15, 2025, ISSN: 1089-7690.
Thermal behavior in FeCuCrCoNi high entropy alloy nanoparticles: an atomistic approach Artículo de revista
En: RSC Advances, vol. 15, no 22, pp. 17695–17705, 2025, ISSN: 2046-2069.
State-to-state rotational rate coefficients for the OCS+H2 collision at low temperatures Artículo de revista
En: Astronomy & Astrophysics, 2025, ISSN: 1432-0746.
Effect of temperature on the degradation of mechanical properties in ZrNb metallic glass Artículo de revista
En: Journal of Non-Crystalline Solids, vol. 666, pp. 123617, 2025, ISSN: 0022-3093.
A machine-learning approach for predicting butyrate production by microbial consortia using metabolic network information Artículo de revista
En: PeerJ, vol. 13, pp. e19296, 2025, ISSN: 2167-8359.
STELLAR Enables CPU-Based Fragment Docking and Reconstruction of Large Peptides Without AI Assistance Artículo de revista
En: 2025.
Elucidating OASL-RNA Interactions: Structural and energetic insights into vault RNAs binding Artículo de revista
En: Journal of Molecular Graphics and Modelling, vol. 139, pp. 109071, 2025, ISSN: 1093-3263.
Targeting Drug Resistance in Cancer: Dimethoxycurcumin as a Functional Antioxidant Targeting ABCC3 Artículo de revista
En: Antioxidants, vol. 14, no 5, pp. 599, 2025, ISSN: 2076-3921.
Combining Low‐Valent AlI and SnII Metal Centers for Small Molecule Activation Artículo de revista
En: European Journal of Inorganic Chemistry, vol. 28, no 16, 2025, ISSN: 1099-0682.
Machine Learning for the Prediction of Thermodynamic Properties in Amorphous Silicon Artículo de revista
En: Applied Sciences, vol. 15, no 10, pp. 5574, 2025, ISSN: 2076-3417.
Impact-Induced Plastic Deformation in CuZr Metallic Glass and MG/Cu Composites Artículo de revista
En: Inorganics, vol. 13, no 5, pp. 141, 2025, ISSN: 2304-6740.
Bayesian model selection for analyzing predictor-dependent directional data Artículo de revista
En: Statistics and Computing, vol. 35, no 5, 2025, ISSN: 1573-1375.
Theoretical Study of Cu Carbenoids in C–H Activation Reactions: The Interplay between Metal Back-Donation and Electrophilicity of the Carbon Artículo de revista
En: The Journal of Physical Chemistry A, 2025, ISSN: 1520-5215.
The CIELO project: The chemo-dynamical properties of galaxies and the cosmic web Artículo de revista
En: Astronomy & Astrophysics, vol. 697, pp. A134, 2025, ISSN: 1432-0746.
Tidal energy resource assessment in the Strait of Magellan in the Chilean Patagonia Artículo de revista
En: Renewable Energy, vol. 252, pp. 123430, 2025, ISSN: 0960-1481.
Nature of host–guest interaction of cyclic alcohols in β-Cyclodextrin: A molecular view of its structural features Artículo de revista
En: Chemical Physics, vol. 588, pp. 112483, 2025, ISSN: 0301-0104.
Orientation-dependent solvatochromism in ferrocenyl pyrimidinium conjugates: Comparative analysis and theoretical insights Artículo de revista
En: Dyes and Pigments, vol. 233, pp. 112489, 2025, ISSN: 0143-7208.
[o-C2B10H10]3 as a trimer aggregate of spherical aromatic carboranes. Persistence and interplay between spherical aromatic states Artículo de revista
En: Chemical Physics Letters, vol. 858, pp. 141752, 2025, ISSN: 0009-2614.
Numerical simulation of a base metal deposit related to a fossil geothermal system Artículo de revista
En: Journal of Geochemical Exploration, vol. 268, pp. 107613, 2025, ISSN: 0375-6742.
Interplay between the charge density wave phase and a pseudogap under antiferromagnetic correlations Artículo de revista
En: Physics Letters A, vol. 529, pp. 130093, 2025, ISSN: 0375-9601.
Deposition of droplets on metallic glass substrates: Thermophysical and structural characterization Artículo de revista
En: Journal of Molecular Liquids, vol. 421, pp. 126879, 2025, ISSN: 0167-7322.
Charge transport of silicon(<scp>iv</scp>) and zinc(<scp>ii</scp>) phthalocyanines by molecular junction models Artículo de revista
En: Journal of Materials Chemistry C, 2025, ISSN: 2050-7534.
An integrated framework for analysing horizontal and vertical tsunami evacuation. A case study of Iquique, Chile Artículo de revista
En: International Journal of Disaster Risk Reduction, vol. 116, pp. 105137, 2025, ISSN: 2212-4209.
Discovery of non-retinoid compounds that suppress the pathogenic effects of misfolded rhodopsin in a mouse model of retinitis pigmentosa Artículo de revista
En: PLOS Biology, vol. 23, no 1, pp. e3002932, 2025, ISSN: 1545-7885.
Relevance of SOMO-HOMO inversion in the antioxidant activity of MgSO4- OH radical complex: A theoretical insight Artículo de revista
En: Chemical Physics Letters, pp. 141902, 2025, ISSN: 0009-2614.
Computational exploration of the electrochemical oxidation mechanism of thiocyanate catalyzed by cobalt-phthalocyanines Artículo de revista
En: Physical Chemistry Chemical Physics, 2025, ISSN: 1463-9084.
Anti-Thermal Quenching in NdIII Molecular Near-Infrared Thermometers Operating at Physiological Temperatures Artículo de revista
En: 2025.
Room-temperature epitaxy of α-CH3NH3PbI3 halide perovskite by pulsed laser deposition Artículo de revista
En: Nature Synthesis, 2025, ISSN: 2731-0582.
Identifying instant utility using psychophysiological indicators in a transport experiment with ecological validity Artículo de revista
En: Transportation, 2025, ISSN: 1572-9435.
<scp>goChem</scp>: A Composable Library for Multi‐Scale Computational Chemistry Data Analysis Artículo de revista
En: Journal of Computational Chemistry, vol. 46, no 2, 2025, ISSN: 1096-987X.
Innovative environmentally friendly synthesis of graphene/AgNPs and AuNPs nanocomposites in one step: SERS performance and DFT-driven insights Artículo de revista
En: Diamond and Related Materials, vol. 152, pp. 111856, 2025, ISSN: 0925-9635.
On the Role of a Polymer Matrix in Enhancing Energy Transfer Efficiency Using Coumarin 6 and Rhodamine B as Donor and Acceptor Pairs Artículo de revista
En: Chemistry – An Asian Journal, 2025, ISSN: 1861-471X.
Metal-catalyzed decarboxylation of oxaloacetic acid studied in silico and in vitro, implications for enzymatic and prebiotic catalysis Artículo de revista
En: Journal of Molecular Structure, vol. 1326, pp. 141105, 2025, ISSN: 0022-2860.
Estimating the limit state space of quasi-nonlinear Fuzzy Cognitive Maps Artículo de revista
En: Applied Soft Computing, vol. 169, pp. 112604, 2025, ISSN: 1568-4946.
Insights into the Planarization of Benzo-Thianthrene Rings: Relevance of Electronic and Steric Effects with Resulting Aromatic Properties Artículo de revista
En: The Journal of Physical Chemistry A, 2025, ISSN: 1520-5215.
A computational survey of layered mixed phases Mn1−xNixPS3 for water splitting: Modulation of the band gap and the oxygen evolution reaction Artículo de revista
En: International Journal of Hydrogen Energy, vol. 99, pp. 1100–1107, 2025, ISSN: 0360-3199.
Temperature effects on the strength of a nanocrystalline refractory high entropy alloy Artículo de revista
En: International Journal of Refractory Metals and Hard Materials, vol. 128, pp. 107038, 2025, ISSN: 0263-4368.
Feedback from intermediate-mass black holes on dwarf galaxy morphology at z = 2 Artículo de revista
En: Astronomy & Astrophysics, vol. 693, pp. A194, 2025, ISSN: 1432-0746.
Superstatistics as the thermodynamic limit of driven classical systems Artículo de revista
En: Physica A: Statistical Mechanics and its Applications, vol. 660, pp. 130370, 2025, ISSN: 0378-4371.
Role of Size and Shape in Photoluminescence and Ultra-Low-Frequency Raman of Methylammonium Lead Iodide Perovskite Quantum Dots Artículo de revista
En: The Journal of Physical Chemistry Letters, pp. 1522–1528, 2025, ISSN: 1948-7185.
A novel three-stage matheuristic for the capacitated minimum spanning tree problem with time windows Artículo de revista
En: Knowledge-Based Systems, vol. 310, pp. 112971, 2025, ISSN: 0950-7051.
Transformer Models improve the acoustic recognition of buzz-pollinating bee species Artículo de revista
En: Ecological Informatics, vol. 86, pp. 103010, 2025, ISSN: 1574-9541.
Pearson correlation coefficient as a tool to identify the composite vortex states in a two-band superconducting slab Artículo de revista
En: Modern Physics Letters B, 2025, ISSN: 1793-6640.
Exploring Bonding Properties and Photophysical Behavior of Naphthoquinone-Based Rhenium(I) Tricarbonyl Complexes: A Combined Experimental and Theoretical Approach Artículo de revista
En: Inorganic Chemistry, 2025, ISSN: 1520-510X.
Determining the Zero-Field Cooling/ Field Cooling Blocking Temperature from AC-Susceptibility data for Single-Molecule Magnets Artículo de revista
En: Inorganic Chemistry Frontiers, 2025, ISSN: 2052-1553.
Unveiling the formation channels of stellar halos through their chemical fingerprints Artículo de revista
En: Astronomy & Astrophysics, vol. 693, pp. A282, 2025, ISSN: 1432-0746.
Unveiling stellar spin: Determining inclination angles in Be stars Artículo de revista
En: Astronomy & Astrophysics, 2025, ISSN: 1432-0746.