Results 11 to 20 of about 88,027 (290)
Chemical analysis and Vickers hardness of orthodontic mini-implants
Brazilian Journal of Oral Sciences, 2015 Orthodontic mini-implants are used in clinical practice to provide efficient and aesthetically-pleasing anchorage. Aim: To evaluate the hardness (Vickers hardness) and chemical composition of miniimplant titanium alloys from five commercial brands ...
Christiane Cavalcante Feitoza +5 more
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Specific Impulse and Absolute Chemical Hardness [PDF]
, 2020 The present work is dedicated to show that there are relationships between the absolute chemical hardness (η) of monopropellants and their specific impulse (Is). A total of sixteen monopropellants have been modelled and the absolute hardness obtained by quantum chemical calculations.
George Santos Marinho, Robson de Farias
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The Fukui potential is a measure of the chemical hardness [PDF]
Chemical Physics Letters, 2011 Abstract The chemical hardness is, after the chemical potential, the most important concept in describing the chemical reactivity of atoms and molecules. Recently, we showed that the Fukui potential at the nucleus of an atom is proportional to its hardness.
Carlos Cárdenas, Cárdenas, Carlos
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Molecules, 2020 Eight novel metal-free organic sensitizers were proposed for dye-sensitized solar cells (DSSCs), theoretically calculated and studied via density functional theory with D-π-A structure.
Tomás Delgado-Montiel +3 more
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Theoretical Study of Chemical Properties of Fulleromethyldopa and Derivatives [PDF]
International Journal of New Chemistry, 2018 In recent years, many studies have been done on structure of fullerene derivatives as medicine nano-carrier compounds. In this work mechanical quantum calculations in theory level of B3lyp/6-31g* and HF/6-31G in the gas phase were performed on ...
Mandana Pirahan Foroush +1 more
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Determination of the Effective Thickness of Hardened Layer of Carburized Gears
Механика машин, механизмов и материалов, 2022 The methods are considered for determining the effective thickness of the hardened layer of metal parts listed in the standards STB 2307-2013 and STB ISO 18203-2019.
Sergei P. Rudenko +2 more
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Molecules, 2013 Assessing the molecular mechanism of a chemical-biological interaction and bonding stands as the ultimate goal of any modern quantitative structure-activity relationship (QSAR) study.
Mihai V. Putz, Nicoleta A. Dudaş
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Molecules, 2019 Ten molecules were theoretically calculated and studied through density functional theory with the M06 density functional and the 6-31G(d) basis set. The molecular systems have potential applications as sensitizers for dye-sensitized solar cells.
Tomás Delgado-Montiel +3 more
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The electronic properties of carbenes
Журнал органічної та фармацевтичної хімії, 2019 For carbenes as ambiphilic compounds there is no single scale for estimating their electron properties. Aim. To consider the known methods of estimating the electron-donating and electron-withdrawing properties of carbenes, first of all, created by the ...
Nikolai I. Korotkikh +4 more
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research Paper: Engineering the Electronic Properties of Buckyball Fullerene Nanostructures through Chemical Doping: Density Functional Theory Approach [PDF]
فیزیک کاربردی ایرانDensity functional theory (DFT) calculations show that the HOMO-LUMO gap of the buckyball fullerene is similar to the energy gap of a semiconductor. On the other hand, the buckyball is considered a candidate as a device for Moletronics.
Fatemeh Shiehzadeh +2 more
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