Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
A photo-induced spin crossover based molecular switch and spin filter operating at room temperature Artículo de revista
En: Dalton Transactions, 2021.
Li 8 Si 8 , Li 10 Si 9 , and Li 12 Si 10 : Assemblies of Lithium-Silicon Aromatic Units Artículo de revista
En: ChemPhysChem, vol. 22, no 10, pp. 906–910, 2021.
Simulations on Simple Models of Connexin Hemichannels Indicate That Ca2$mathplus$ Blocking Is Not a Pure Electrostatic Effect Artículo de revista
En: Membranes, vol. 11, no 5, pp. 372, 2021.
The black carbon dispersion in the Southern Hemisphere and its transport and fate to Antarctica, an Anthropocene evidence for climate change policies Artículo de revista
En: Science of The Total Environment, vol. 778, pp. 146242, 2021.
Role of Precursor Choice on Area-Selective Atomic Layer Deposition Artículo de revista
En: Chemistry of Materials, 2021.
Understanding Topological Insulators in Real Space Artículo de revista
En: Molecules, vol. 26, no 10, pp. 2965, 2021.
Novel N-Arylsulfonylindoles Targeted as Ligands of the 5-HT6 Receptor. Insights on the Influence of C-5 Substitution on Ligand Affinity Artículo de revista
En: Pharmaceuticals, vol. 14, no 6, pp. 528, 2021.
An Experimental and Theoretical Study of Dye Properties of Thiophenyl Derivatives of 2-Hydroxy-1, 4-naphthoquinone (Lawsone) Artículo de revista
En: Materials, vol. 14, no 19, pp. 5587, 2021.
Synthesis, Single-Crystal Exploration, and Theoretical Insights of Arylsulfonylated 2-Amino-6-methylpyrimidin Derivatives Artículo de revista
En: Journal of Molecular Structure, pp. 130789, 2021.
2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational exploration Artículo de revista
En: Journal of Molecular Structure, vol. 1230, pp. 129893, 2021.
A Rare Angular Trinuclear Mixed Valence Cobalt(III-II-III) Complex With Azido Bridges And Salpn-Type Schiff-Base Ligand: Synthesis, Crystal Structure And DFT Study Artículo de revista
En: Journal of Molecular Structure, vol. 1230, pp. 129863, 2021.
En: Journal of Molecular Structure, vol. 1228, pp. 129445, 2021.
RMD simulations of ADN and ADN/GAP-based propellant Artículo de revista
En: Journal of the Brazilian Society of Mechanical Sciences and Engineering, vol. 43, no 3, 2021.
Combinatorial library design and virtual screening of cryptolepine derivatives against topoisomerase IIA by molecular docking and DFT studies Artículo de revista
En: Physical Sciences Reviews, vol. 0, no 0, 2021.
Comparison of P- and As-core-modified porphyrins with the parental porphyrin: a computational study Artículo de revista
En: Pure and Applied Chemistry, vol. 0, no 0, 2021.
Facile synthesis of Tb-decorated graphene oxide: electrochemical stability, hydrogen storage, and corrosion inhibition of Mg AZ13 alloy in 3.5% NaCl medium Artículo de revista
En: RSC Advances, vol. 11, no 2, pp. 662–670, 2021.
Identification of the thistle milk component Silibinin(A) and Glutathione-disulphide as potential inhibitors of the pancreatic lipase: Potential implications on weight loss Artículo de revista
En: Journal of Functional Foods, vol. 83, pp. 104479, 2021.
An EPIC Tikhonov regularization: Application to quasi-static fault slip inversion Artículo de revista
En: Journal of Geophysical Research: Solid Earth, 2021.
Theory of magnetism in the van der Waals magnet CrI3 Artículo de revista
En: Physical Review B, vol. 103, no 17, 2021.
Towards the Interpretability of Machine Learning Predictions for Medical Applications Targeting Personalised Therapies: A Cancer Case Survey Artículo de revista
En: International Journal of Molecular Sciences, vol. 22, no 9, pp. 4394, 2021.
The balanced dispatching problem in passengers transport services on demand Artículo de revista
En: Expert Systems with Applications, vol. 177, pp. 114918, 2021.
Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight? Artículo de revista
En: Physical Chemistry Chemical Physics, 2021.
Nucleofugality hierarchy, in the aminolysis reaction of 4-cyanophenyl 4-nitrophenyl carbonate and thionocarbonate. Experimental and theoretical study Artículo de revista
En: New Journal of Chemistry, 2021.
Links among the Fukui potential, the alchemical hardness and the local hardness of an atom in a molecule Artículo de revista
En: Journal of Computational Chemistry, 2021.
A two-dimensional disordered magnetic metamaterial Artículo de revista
En: Physics Letters A, pp. 127517, 2021.
Automated generation of context-specific gene regulatory networks with a weighted approach in Drosophila melanogaster Artículo de revista
En: Interface Focus, vol. 11, no 4, pp. 20200076, 2021.
Theoretical Insight into the Effect of Fluorine-Functionalized Metal-Organic Framework Supported Palladium Single-Site Catalyst in the Ethylene Dimerization Reaction Artículo de revista
En: Chemistry – A European Journal, 2021.
En: Frontiers in Microbiology, vol. 12, 2021.
En: Physics of the Earth and Planetary Interiors, pp. 106765, 2021.
Spiral Arms and a Massive Dust Disk with Non-Keplerian Kinematics: Possible Evidence for Gravitational Instability in the Disk of Elias 2–27 Artículo de revista
En: The Astrophysical Journal, vol. 914, no 2, pp. 88, 2021.
Rupture parameter sensitivity of low frequency ground motion response spectra using synthetic scenarios in North Chile Artículo de revista
En: Bulletin of Earthquake Engineering, 2021.
Exploring the Conformational Changes Induced by Nanosecond Pulsed Electric Fields on the Voltage Sensing Domain of a Ca2$mathplus$ Channel Artículo de revista
En: Membranes, vol. 11, no 7, pp. 473, 2021.
Trapping an Unusual Pentacoordinate Carbon Atom in a Neutral Trialuminum Complex Artículo de revista
En: 2021.
Supporting the classification of patients in public hospitals in Chile by designing, deploying and validating a system based on natural language processing Artículo de revista
En: BMC Medical Informatics and Decision Making, vol. 21, no 1, 2021.
Mechanical and structural assessment of CuZr metallic glasses rejuvenated by thermal-pressure treatments Artículo de revista
En: Computational Materials Science, vol. 198, pp. 110681, 2021.
Low Carbon Footprint Recycling of Post-Consumer PET Plastic with a Metagenomic Polyester Hydrolase Artículo de revista
En: ChemSusChem, 2021.
Forecasting PM2.5 levels in Santiago de Chile using deep learning neural networks Artículo de revista
En: Urban Climate, vol. 38, pp. 100906, 2021.
Tomato Cultivars With Variable Tolerances to Water Deficit Differentially Modulate the Composition and Interaction Patterns of Their Rhizosphere Microbial Communities Artículo de revista
En: Frontiers in Plant Science, vol. 12, 2021.
Tsunami detection by GPS-derived ionospheric total electron content Artículo de revista
En: Scientific Reports, vol. 11, no 1, 2021.
Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be4B8 Cluster at Different Temperatures Artículo de revista
En: Molecules, vol. 26, no 13, pp. 3953, 2021.
Evaluation of cyrhetrenyl and ferrocenyl precursors as 5-lipoxygenase inhibitors – biological and computational studies Artículo de revista
En: New Journal of Chemistry, 2021.
Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study Artículo de revista
En: Biomolecules, vol. 11, no 7, pp. 1051, 2021.
A stable nanosilver decorated phosphorene nanozyme with phosphorus-doped porous carbon microsphere for intelligent sensing of 8-hydroxy-2$prime$-deoxyguanosine Artículo de revista
En: Journal of Electroanalytical Chemistry, vol. 895, pp. 115522, 2021.
Bimetalic (AuPt)4 nano-clusters adsorbed on TiO2 nano-wires: A density-functional-theoretic study Artículo de revista
En: Journal of Physics and Chemistry of Solids, pp. 110275, 2021.
Towards a Future Scenario for Offshore Wind Energy in Chile: Breaking the Paradigm Artículo de revista
En: Sustainability, vol. 13, no 13, pp. 7013, 2021.
Insights into neutralizing antibody responses in individuals exposed to SARS-CoV-2 in Chile Artículo de revista
En: Science Advances, vol. 7, no 7, pp. eabe6855, 2021.
An integrated modeling approach for mineral and metal transport in acidic rivers at high mountainous porphyry Cu systems Artículo de revista
En: Journal of Hydrology, pp. 126718, 2021.
Long-Term Exposure to Fine and Coarse Particulate Matter and COVID-19 Incidence and Mortality Rate in Chile during 2020 Artículo de revista
En: International Journal of Environmental Research and Public Health, vol. 18, no 14, pp. 7409, 2021.
Nuclearity Control for Efficient Thermally Activated Delayed Fluorescence in a CuI Complex and its Halogen-Bridged Dimer Artículo de revista
En: Chemistry of Materials, 2021.
Hydrodynamic disk solutions for Be stars using HDUST Artículo de revista
En: Proceedings of the International Astronomical Union, vol. 17, no S370, pp. 168–173, 2021, ISSN: 1743-9221.
En: Electrochimica Acta, vol. 391, pp. 138905, 2021.
Assessment of Top-Down Design of Tsunami Evacuation Strategies Based on Drill and Modelled Data Artículo de revista
En: Frontiers in Earth Science, vol. 9, 2021.
Bulky and Electron-Deficient $upalpha$-Iminocarboxamidato-Nickel(II) Complexes: A Study of the Steric and Electronic Effects on Ethylene Activation Artículo de revista
En: European Journal of Inorganic Chemistry, 2021.
Peptipedia: a user-friendly web application and a comprehensive database for peptide research supported by Machine Learning approach Artículo de revista
En: Database, vol. 2021, 2021.
The N-terminal domain of RfaH plays an active role in protein fold-switching Artículo de revista
En: PLOS Computational Biology, vol. 17, no 9, pp. e1008882, 2021.
Analysis of submerged single and twin gas jet injection using URANS-CFD simulations Artículo de revista
En: European Journal of Mechanics - B/Fluids, 2021.
On the Resource Allocation for Political Campaigns Artículo de revista
En: Production and Operations Management, 2021.
Feasibility of P2P-STB based crowdsourcing to speed-up photo classification for natural disasters Artículo de revista
En: Cluster Computing, 2021.
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Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC