Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
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.
The mechanical response of the condylar process of the mandible under changes of the occlusal plane inclination Artículo de revista
En: Journal of Cranio-Maxillofacial Surgery, 2025, ISSN: 1010-5182.
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.
Highly conductive diatreme aquifer beneath the Cerro Overo maar, Central Andean volcanic zone, Chile Artículo de revista
En: Geology, 2025, ISSN: 1943-2682.
En: Physical Chemistry Chemical Physics, vol. 27, no 9, pp. 4968–4972, 2025, ISSN: 1463-9084.
Histopathology Image Augmentation Through StyleGAN2-ADA Capítulo de libro
En: High Performance Computing, pp. 216–228, Springer Nature Switzerland, 2025, ISSN: 1865-0937.
Rheological characterization of CuZr metallic glasses at the atomic scale Artículo de revista
En: Journal of Molecular Modeling, vol. 31, no 3, 2025, ISSN: 0948-5023.
Development of Ferrocenyl and Ruthenocenyl Zileuton Analogs with Enhanced Bioactivity toward Human 5-Lipoxygenase: Innovation in Drugs for Inflammatory Diseases Artículo de revista
En: Inorganic Chemistry, vol. 64, no 7, pp. 3495–3505, 2025, ISSN: 1520-510X.
Sensitivity of Atmospheric Carbon Dioxide to Dust Iron Solubility During the Last Glacial-Interglacial Cycle Artículo de revista
En: 2025.
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.
Strain within N5, N10-bridged tetrahydropterins influences stereochemistry of hydride transfer Artículo de revista
En: 2025.
From Metagenomes to Functional Expression of Resistance: floR Gene Diversity in Bacteria from Salmon Farms Artículo de revista
En: Antibiotics, vol. 14, no 2, pp. 122, 2025, ISSN: 2079-6382.
Towards an efficient delayed fluorescence mechanism from charge transfer and local transitions. The role of heavy halide atoms Artículo de revista
En: New Journal of Chemistry, 2025, ISSN: 1369-9261.
Dynamics of the subtidal transport through the Guafo Mouth connecting the open ocean and the Chilean Inland Sea in Southern Chile Artículo de revista
En: Continental Shelf Research, pp. 105428, 2025, ISSN: 0278-4343.
Novel metal sites revealed by spectroscopic and structural characterization of the ferric uptake regulator from Acidithiobacillus ferrooxidans Artículo de revista
En: Computational and Structural Biotechnology Journal, vol. 27, pp. 765–777, 2025, ISSN: 2001-0370.
Can we really use design-free hydroacoustic data from fishing vessels for assessing abundance and distribution of marine species? A proof of concept analysis on Antarctic krill Artículo de revista
En: Ecological Indicators, vol. 172, pp. 113284, 2025, ISSN: 1470-160X.
Insight into the inhibitory activity of mangiferin and Silybin against HER2 and EGFR using theoretical and experimental approaches Artículo de revista
En: Scientific Reports, vol. 15, no 1, 2025, ISSN: 2045-2322.
Fukui Function and Fukui Potential for Solid-State Chemistry: Application to Surface Reactivity Artículo de revista
En: Journal of Chemical Theory and Computation, 2025, ISSN: 1549-9626.
Fukui Function and Fukui Potential for Solid-State Chemistry: Application to Surface Reactivity Artículo de revista
En: Journal of Chemical Theory and Computation, 2025, ISSN: 1549-9626.
En: Astronomy and Computing, vol. 52, pp. 100941, 2025, ISSN: 2213-1337.
Diversity and distribution of the eukaryotic picoplankton in the oxygen minimum zone of the tropical Mexican Pacific Artículo de revista
En: Journal of Plankton Research, vol. 47, no 2, 2025, ISSN: 1464-3774.
Disentangling Radiative and Non‐Radiative Deactivation Pathways in CuI ‐Based TADF Emitters Artículo de revista
En: Angewandte Chemie International Edition, 2025, ISSN: 1521-3773.
Suitability study of Ag nanosheet SERS substrates as a screening method for imidacloprid after QuEChERS extraction Artículo de revista
En: New Journal of Chemistry, vol. 48, no 9, pp. 3924–3932, 2024, ISSN: 1369-9261.
Floquet Engineering of a Diatomic Molecule through a Bichromatic Radiation Field Artículo de revista
En: Journal of Chemical Theory and Computation, vol. 20, no 6, pp. 2559–2569, 2024, ISSN: 1549-9626.
Exploring the adsorption of five emerging pollutants on activated carbon: A theoretical approach Artículo de revista
En: Journal of Environmental Chemical Engineering, vol. 12, no 3, pp. 112911, 2024, ISSN: 2213-3437.
Identification of master regulator genes controlling pathogenic CD4+ T cell fate in inflammatory bowel disease through transcriptional network analysis Artículo de revista
En: Scientific Reports, vol. 14, no 1, 2024, ISSN: 2045-2322.
Elucidating, understanding, and correlating the (photo)electrochemical and physicochemical properties of HKUST-1 through an experimental and computational approach. Artículo de revista
En: New Journal of Chemistry, 2024, ISSN: 1369-9261.
Intermediate Intercluster Bond Orders. Electronic Communication in Au38(SR)24 Superatomic Molecules Artículo de revista
En: ChemPhysChem, 2024, ISSN: 1439-7641.
Climate projections of oceanographic variables in the Exclusive Economic Zone of Ecuador: A 21st Century Perspective to inform impact and adaptation assessment Artículo de revista
En: Regional Studies in Marine Science, pp. 103612, 2024, ISSN: 2352-4855.
Equipo
Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC