Results 131 to 140 of about 5,171,280 (369)
iScience, 2020 Summary: We report relations between nitrogen-binding-energy descriptors obtained from experimental thermochemical data and limiting potentials from density functional theory data.
Emil Dražević, Egill Skúlason
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An Introduction to Theoretical and Applied Colloid Chemistry: The World of Neglected Dimensions. By Dr. Wolfgang Ostwald, Privatdozent in the University of Leipsic. Authorised translation from the German by Dr. M. H. Fischer, Eichberg Professor of Physiology in the University of Cincinnati. (New York: John Wiley and Sons, Inc. London: Chapman and Hall, Ltd. 1917.) Price: 11s. 6d. net. [PDF]
, 1919 Alexander Findlay
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Using Molinspiration as a didactic complement into teaching subjects of Medicinal Chemistry [PDF]
, 2016 Medicinal Chemistry has high rates of failure and abandonment at the beginning of the courses where this disciplines are taught, as occurs in pharmaceutical sciences.
Fonseca, Custódia
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Advanced Engineering Materials, EarlyView.Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
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Computational and experimental research on mechanism of cis/trans isomerization of oleic acid
Heliyon, 2018 The harm of trans-fatty acids to health has aroused public concern. It is believed that the main source of trans-fatty acids in diets is the isomerization of unsaturated fatty acids in edible oils during cooking.
Ningning Cheng +3 more
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The effects of molecular structure on the electrical conductivity of polymers [PDF]
The role of Quantum Theoretical Methods is both predictive and supportive of experimental results in Chemistry. Present day methods are able to calculate vibrational spectra and stereochemical interactions for molecules of moderate size (up to 20 atoms).
Burke, Luke A.
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Multilayered plasmonic nanostructures for solar energy harvesting
, 2018 Optical properties of core-shell-shell Au@SiO2@Au nanostructures and their solar energy harvesting applications are theoretically investigated using Mie theory and heat transfer equations.
Le, Nam B. +3 more
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Advanced Engineering Materials, Volume 27, Issue 14, July 2025.Herein, silicon‐based nanoparticle coatings on X2CrNiMo17‐12‐2 metal powder are presented. The coating process scale, process parameters, nanoparticle size (65–200 nm) as well as the coating amount are discussed regarding powder properties. The surface roughness affects the flowability, while reflectance depends on the coating material and surface ...
Arne Lüddecke +4 more
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Heliyon, 2020 Extensive quantum chemical calculation have been carried out to investigate the Fourier Transform Infrared(FT-IR), Fourier Transform Raman(FT-RAMAN) and Nuclear magnetic resonance(NMR), and Ultra Violet-Visible(UV-vis) spectra of 2-(4-Cyanophenylamino ...
M. Habib Rahuman +4 more
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