Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
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.
Slide and twist: manipulating polarization in multilayer hexagonal boron–nitride Artículo de revista
En: Physical Chemistry Chemical Physics, 2025, ISSN: 1463-9084.
Simulating the Fate of Dimethyl Sulfide (DMS) in the Atmosphere: A Review of Emission and Chemical Parameterizations Artículo de revista
En: Atmosphere, vol. 16, no 3, pp. 350, 2025, ISSN: 2073-4433.
Statistical Mechanics Model of Interacting Asymmetric Polyatomic Species: Application to the Adsorption of para-Aminobenzoic Acid on a V2O5 Surface Artículo de revista
En: The Journal of Physical Chemistry C, 2025, ISSN: 1932-7455.
Connexin46 in the nucleus of cancer cells: a possible role as transcription modulator Artículo de revista
En: Cell Communication and Signaling, vol. 23, no 1, 2025, ISSN: 1478-811X.
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.
Influence of substitution patterns on isomer preference in 1 : 1 chromone–methanol complexes Artículo de revista
En: Physical Chemistry Chemical Physics, 2025, ISSN: 1463-9084.
Layered aquatic microenvironments control fluctuations generated by active carpets Artículo de revista
En: Physical Review Research, vol. 7, no 1, 2025, ISSN: 2643-1564.
Photoproduction of Heavy Meson and Photon Pairs Artículo de revista
En: Particles, vol. 8, no 1, pp. 23, 2025, ISSN: 2571-712X.
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.
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.
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.
Impact of anionic co-ligands on nuclearity and single-molecule magnetism in a CoIII2DyIII trimeric and two CoIII2DyIII2 tetrameric complexes Artículo de revista
En: New Journal of Chemistry, 2025, ISSN: 1369-9261.
Targeting Drug Resistance in Cancer: Dimethoxycurcumin as a Functional Antioxidant Targeting ABCC3 Artículo de revista
En: 2025.
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.
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.
Improvement of electronic structure calculations for the interpretation of emission spectrum of NdIII complexes Artículo de revista
En: Physical Chemistry Chemical Physics, 2025, ISSN: 1463-9084.
En: Physical Review D, vol. 111, no 5, 2025, ISSN: 2470-0029.
En: Scientia Horticulturae, vol. 343, pp. 114099, 2025, ISSN: 0304-4238.
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.
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.
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.
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.
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.
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.
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.
Mechanism and Origin of Regioselectivity in the Phosphine-Catalyzed Heine Reaction Artículo de revista
En: The Journal of Organic Chemistry, 2025, ISSN: 1520-6904.
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.
Influence of Gd doping on the structural, optical, dielectric, and magnetic properties of ZnFe2O4: A combined experimental and theoretical study Artículo de revista
En: Ceramics International, vol. 51, no 5, pp. 6748–6761, 2025, ISSN: 0272-8842.
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.
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.
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.
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.
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.
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.
Investigation of the amorphous structure and hydrogen-induced mechanical behavior in V-Al alloys Artículo de revista
En: Physica Scripta, 2025, ISSN: 1402-4896.
En: Pharmaceuticals, vol. 18, no 5, pp. 733, 2025, ISSN: 1424-8247.
Mechanical behaviour of hydrogenated nanoporous palladium Artículo de revista
En: Physical Chemistry Chemical Physics, 2025, ISSN: 1463-9084.
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.
Nanodomain organization in ionic liquids: Implications of polarization effects in the alkyl side-chain association Artículo de revista
En: Journal of Molecular Liquids, vol. 402, pp. 124721, 2024, ISSN: 0167-7322.
Metric Space Indices for Dynamic Optimization in a Peer to Peer-Based Image Classification Crowdsourcing Platform Artículo de revista
En: Future Internet, vol. 16, no 6, pp. 202, 2024, ISSN: 1999-5903.
Correction: Exploring the potential as molecular quantum-dot cellular automata of a mixed-valence Ru2 complex deposited on a Au(111) surface Artículo de revista
En: Inorganic Chemistry Frontiers, 2024, ISSN: 2052-1553.
Synthesis, crystal structure study, characterization, and DFT investigation of a new nickel(II) complex, [dihomopiperazine nickel (II)] sulfate tetrahydrate Artículo de revista
En: Journal of Molecular Structure, pp. 138855, 2024, ISSN: 0022-2860.
Hydrological implications of the Chile Megadrought in high mountain basins and lessons for climate adaptation. Artículo de revista
En: 2024.
Equipo
Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC