The experience of implementing a theoretical tour during student Olympiads in biochemistry
S. F. Andrusenko, I. K. Kulikova · Вестник Северо-Кавказского федерального университета · 2024
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Physical and Theoretical Chemistry
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Jean-Antoine Chaptal (1756–1832): premier chimiste disciple de Lavoisier
Jacques, Éric · Comptes Rendus. Chimie · 2024
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Extraction of Functional Components from Freeze-Dried Angelica furcijuga Leaves Using Supercritical Carbon Dioxide
Yuriko Hoshino, Wahyudiono, Siti Machmudah et al. · ACS Omega · 2022
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Novel Glucosylimidazolium Ionic‐Liquid‐Supported Novozym 435 Catalysts – A Proof of Concept for an Acrylation Reaction
Paul Lehmann, Dr. Stefan Jopp · ChemistryOpen · 2022
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Water in Deep Eutectic Solvents: New Insights From Inelastic Neutron Scattering Spectroscopy
Mariela M. Nolasco, Sónia N. Pedro, Carla Vilela et al. · Frontiers in Physics · 2022
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Accelerate the Electrolyte Perturbed-Chain Statistical Associating Fluid Theory–Density Functional Theory Calculation With the Chebyshev Pseudo-Spectral Collocation Method. Part II. Spherical Geometry and Anderson Mixing
Yunhao Sun, Yunhao Sun, Zhengxing Dai et al. · Frontiers in Chemistry · 2022
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Ultrafast photoinduced dynamics of a donor-( $$\mathrm \pi$$ π )bridge-acceptor based merocyanine dye
Jianwei Shen, Ajay Jha, Meng Lv et al. · Scientific Reports · 2022
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Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of silica polymerization
André P. Carvalho, Sérgio M. Santos, Germán Pérez-Sánchez et al. · npj Computational Materials · 2022
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Outpacing conventional nicotinamide hydrogenation catalysis by a strongly communicating heterodinuclear photocatalyst
Linda Zedler, Pascal Wintergerst, Alexander K. Mengele et al. · Nature Communications · 2022
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azTotMD 2.0: Molecular dynamics with the radiative thermostat and temperature-dependent force field (CUDA version)
Anton Raskovalov, Platon Surkov · SoftwareX · 2022
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Spectral Behaviour of the low concentrations of Coumarin 334 with Broadband Cavity Enhanced Absorption Spectroscopy
Hanan Auda Naif, Asrar Abdulmunem Saeed, Mahasin Fadhil Hadi Al-Kadhemy · مجلة بغداد للعلوم · 2022
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Elucidation of Charge Contribution in Iridium-Chelated Hydrogen-Bonding Systems
Barbora Balónová, Barry A. Blight · Frontiers in Chemistry · 2021
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Real-time tracking of ionic nano-domains under shear flow
Clodomiro Cafolla, Kislon Voïtchovsky · Scientific Reports · 2021
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Review of What Is a Chemical Element? By Eric Scerri and Elena Ghibaudi, eds. Oxford: Oxford University Press, 2020.
Helge Kragh · Substantia · 2021
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A simple theoretical, quantitative approach to help understand the titration of weak acids and bases
Arocena Miguel · Chemistry Teacher International · 2021
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Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study
Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui et al. · Heliyon · 2021
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Real time observation of the interaction between aluminium salts and sweat under microfluidic conditions
Yasine Sakhawoth, Jules Dupire, Fabien Leonforte et al. · Scientific Reports · 2021
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Methyl groups as widespread Lewis bases in noncovalent interactions
Oliver Loveday, Jorge Echeverría · Nature Communications · 2021
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A virtual alternative to molecular model sets: a beginners’ guide to constructing and visualizing molecules in open-source molecular graphics software
Siripreeya Phankingthongkum, Taweetham Limpanuparb · BMC Research Notes · 2021
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Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
Chengxi Zhao, Linjiang Chen, Yu Che et al. · Nature Communications · 2021
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