Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
Role of Electronic and Steric Effects on Ruthenium Catalysts with Bulky NHC Ligands and Relationship with the Z-Selectivity in Olefin Metathesis Artículo de revista
En: Catalysts, vol. 13, no 9, pp. 1305, 2023.
N-methyl acetamide asymmetric vibrational activation Artículo de revista
En: Theoretical Chemistry Accounts, vol. 142, no 10, 2023.
Tunable optical and structural characteristics with improved electrical properties of (PVA-GO-CuO) eco-friendly-polymer nanocomposites and their DFT study Artículo de revista
En: Diamond and Related Materials, pp. 110425, 2023.
Design of $upbeta$-Keto Esters with Antibacterial Activity: Synthesis, In Vitro Evaluation, and Theoretical Assessment of Their Reactivity and Quorum-Sensing Inhibition Capacity Artículo de revista
En: Pharmaceuticals, vol. 16, no 10, pp. 1339, 2023.
Spatial biology of Ising-like synthetic genetic networks Artículo de revista
En: BMC Biology, vol. 21, no 1, 2023.
Synthesis of hollow bimetallic nanoparticles from Ultrafast Laser Irradiation: An atomistic simulation study Artículo de revista
En: Computational Materials Science, vol. 230, pp. 112516, 2023.
Strong Carbon – Noble Gas Covalent Bond and Fluxionality in Hypercoordinate Compounds Artículo de revista
En: Physical Chemistry Chemical Physics, 2023.
Experimental and computational analysis of stacking fault energy in B-doped Fe50-XMn30Co10Cr10BX multi-principal elements alloys Artículo de revista
En: Journal of Alloys and Compounds, vol. 969, pp. 172428, 2023.
Exploring the Potential Energy Surface of Medium-Sized Aromatic Polycyclic Systems with Embedded Planar Tetracoordinate Carbons: A Guided Approach Artículo de revista
En: Chemistry, vol. 5, no 3, pp. 1535–1545, 2023.
On the structure and electronic properties of Ptn clusters: new most stable structures for n=16-17 Artículo de revista
En: Physical Chemistry Chemical Physics, 2023.
In silico design of bio-marker detection fluorescent probes Artículo de revista
En: Physical Chemistry Chemical Physics, 2023.
Density of states of a three-state-Potts Coulomb lattice gas Proceedings Article
En: IWOSP 2021, INTERNATIONAL WORKSHOP ON STATISTICAL PHYSICS, AIP Publishing, 2023.
Inference for unreliable grading: The case of recommendation letters Proceedings Article
En: IWOSP 2021, INTERNATIONAL WORKSHOP ON STATISTICAL PHYSICS, AIP Publishing, 2023.
Configurational density of states and melting of simple solids Artículo de revista
En: Physica A: Statistical Mechanics and its Applications, vol. 629, pp. 129198, 2023.
Magnetic properties of CoNi nanowires and nanotubes: Insights from micromagnetic simulations and composition-dependent equations Artículo de revista
En: Results in Physics, pp. 107082, 2023.
Algorithms for a risk-averse Stackelberg game with multiple adversaries Artículo de revista
En: Computers &$mathsemicolon$ Operations Research, vol. 160, pp. 106367, 2023.
Mechanistic Insights into the DABCO-Catalyzed Cloke–Wilson Rearrangement: A DFT Perspective Artículo de revista
En: The Journal of Organic Chemistry, 2023.
Polymers of intrinsic microporosity containing aryl-phthalimide moieties: synthesis, modeling, and membrane gas transport properties Artículo de revista
En: Polymer Chemistry, vol. 14, no 19, pp. 2363–2373, 2023.
Growth and electronic properties of Co-doped Mn3O4 thin films: A combined experimental and theoretical investigation Artículo de revista
En: Physical Chemistry Chemical Physics, 2023.
A target-time-windows technique for project scheduling under uncertainty Artículo de revista
En: European Journal of Operational Research, 2023.
Exploring the benefits of images with frequency visual content in predicting human ocular scanpaths using Artificial Neural Networks Artículo de revista
En: Expert Systems with Applications, pp. 121839, 2023.
Natural pentacyclic triterpenoid as allosteric modulators of human 5-lipoxygenase with potential anti-inflammatory activity Artículo de revista
En: Journal of Biomolecular Structure and Dynamics, pp. 1–9, 2023.
Tuning the solvatochromic inversion of Brookertextquotesingles merocyanine analogs Artículo de revista
En: Journal of Molecular Liquids, vol. 392, pp. 123446, 2023.
Size Matters: Free-Energy Calculations of Amino Acid Adsorption over Pristine Graphene Artículo de revista
En: Journal of Chemical Information and Modeling, 2023.
Investigating cooperative effects in small cobalt and cobalt-nickel alloy clusters by ethanol attachment Artículo de revista
En: Physical Chemistry Chemical Physics, 2023.
Assessing potential tsunami vertical-evacuation practices: A study of four cases in Chile using virtual reality and GIS Artículo de revista
En: International Journal of Disaster Risk Reduction, vol. 98, pp. 104098, 2023.
Water flow in a polymeric nanoslit channel with graphene and hexagonal boron nitride wall coatings: An atomistic study Artículo de revista
En: Physics of Fluids, vol. 35, no 10, 2023.
En: Inorganic Chemistry, 2023, ISSN: 1520-510X.
Structural and rheological properties of CuZrAl metallic glasses under pressure preloading Artículo de revista
En: Computational Materials Science, vol. 216, pp. 111819, 2023.
Computational prediction of the properties of bis(ethynylthienyl)dialcoxynaphthalene‐based conjugated polymers for organic solar cell applications Artículo de revista
En: International Journal of Quantum Chemistry, 2023, ISSN: 1097-461X.
Fast relocking and afterslip-seismicity evolution following the 2015 Mw 8.3 Illapel earthquake in Chile Artículo de revista
En: Scientific Reports, vol. 13, no 1, 2023, ISSN: 2045-2322.
Two-dimensional simulation of the seismic response of the Santiago Basin, Chile Artículo de revista
En: Soil Dynamics and Earthquake Engineering, vol. 164, pp. 107569, 2023.
Unraveling the delayed fluorescence mechanism of copper(I) halide-phosphine emitters from DFT calculations Artículo de revista
En: Results in Chemistry, vol. 6, pp. 101201, 2023, ISSN: 2211-7156.
Tracking tsunami propagation and Island’s collapse after the Hunga Tonga Hunga Ha’apai 2022 volcanic eruption from multi-space observations Artículo de revista
En: Scientific Reports, vol. 13, no 1, 2023, ISSN: 2045-2322.
ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery Artículo de revista
En: 2023.
Cooling the coldest continent: The 4 December 2021 Total Solar Eclipse over Antarctica Artículo de revista
En: Bulletin of the American Meteorological Society, 2023, ISSN: 1520-0477.
Unraveling the abnormal NMR spectra of oxaline and its spiroaminal congeners fungal alkaloids: the spatial effect of quadrupolar nitrogen nuclei Artículo de revista
En: Journal of Molecular Structure, pp. 137126, 2023, ISSN: 0022-2860.
Model for Nonrelativistic Topological Multiferroic Matter Artículo de revista
En: Physical Review Letters, vol. 131, no 22, 2023, ISSN: 1079-7114.
Effect of Deformation on the Magnetic Properties of C + N Austenitic Steel Artículo de revista
En: Metallurgical and Materials Transactions A, 2023, ISSN: 1543-1940.
Deciphering the origin of the first steps in the degradation of azo dyes: a computational study Artículo de revista
En: Environmental Science and Pollution Research, 2023, ISSN: 1614-7499.
Unveiling the electronic and structural consequences of removing two electrons from B12H122− Artículo de revista
En: Dalton Transactions, vol. 52, no 46, pp. 17398–17406, 2023, ISSN: 1477-9234.
Circumstellar disk and the first generation of stars Artículo de revista
En: Astronomische Nachrichten, 2023, ISSN: 1521-3994.
Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations Artículo de revista
En: Chemistry – A European Journal, 2023, ISSN: 1521-3765.
A machine learning approach for slow slip event detection using GNSS time-series Artículo de revista
En: Journal of South American Earth Sciences, vol. 132, pp. 104680, 2023, ISSN: 0895-9811.
En: Physical Review B, vol. 108, no 21, 2023, ISSN: 2469-9969.
Sensitivity of Simulated Conditions to Different Parameterization Choices Over Complex Terrain in Central Chile Artículo de revista
En: Atmosphere, vol. 15, no 1, pp. 10, 2023, ISSN: 2073-4433.
Room Temperature Epitaxy of CH3NH3PbI3 Halide Perovskite by Pulsed Laser Deposition Artículo de revista
En: 2023.
Influence of symmetry on the magneto-optical properties of a bifunctional macrocyclic DyIII complex Artículo de revista
En: Dalton Transactions, vol. 52, no 48, pp. 18480–18488, 2023, ISSN: 1477-9234.
Semi-empirical Haken–Strobl model for molecular spin qubits Artículo de revista
En: New Journal of Physics, vol. 25, no 9, pp. 093031, 2023, ISSN: 1367-2630.
Rate coefficients for the rotational de-excitation of OCS by collision with He Artículo de revista
En: Astronomy & Astrophysics, vol. 680, pp. A113, 2023, ISSN: 1432-0746.
Brauer and Jones tied monoids Artículo de revista
En: Journal of Pure and Applied Algebra, vol. 227, no 1, pp. 107161, 2023.
Plasticity in diamond nanoparticles: dislocations and amorphization during loading and dislocation multiplication during unloading Artículo de revista
En: Journal of Materials Science, 2023, ISSN: 1573-4803.
Exclusive photoproduction of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>D</mml:mi></mml:math> -meson pairs with large invariant mass Artículo de revista
En: Physical Review D, vol. 108, no 9, 2023, ISSN: 2470-0029.
Synergistic effect of ultrasound and light to efficient singlet oxygen formation for photodynamic purposes Artículo de revista
En: Dyes and Pigments, vol. 210, pp. 110986, 2023.
Li6E5Li6: Tetrel Sandwich Complexes with 10‐π‐Electrons Artículo de revista
En: Angewandte Chemie International Edition, vol. 63, no 5, 2023, ISSN: 1521-3773.
Urban commuting time and sick-leave medical license use: An empirical study of Santiago, Chile Artículo de revista
En: Economics of Transportation, vol. 33, pp. 100287, 2023.
Transcriptional Signatures and Network-Based Approaches Identified Master Regulators Transcription Factors Involved in Experimental Periodontitis Pathogenesis Artículo de revista
En: International Journal of Molecular Sciences, vol. 24, no 19, pp. 14835, 2023, ISSN: 1422-0067.
Bayesian sampling with BeAtlas, a grid of synthetic Be star spectra I. Recovering the fundamental parameters of α Eri and β CMi Artículo de revista
En: Monthly Notices of the Royal Astronomical Society, vol. 526, no 2, pp. 3007–3036, 2023, ISSN: 1365-2966.
En: The Journal of Physical Chemistry C, 2023.
Equipo
Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC