Results 41 to 50 of about 223,340 (161)
Plasmonic hot electron transport drives nano-localized chemistry
Nature Communications, 2017 Quantitative understanding of the spatial localization of hot carriers has been elusive. Here Corteset al. spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for ...
Emiliano Cortés +7 more
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A Systematic Approach for Semiconductor Half-Heusler
Frontiers in Materials, 2021 The key to designing a half-Heusler begins from the understanding of atomic interactions within the compound. However, this pool of knowledge in half-Heusler compounds is briefly segregated in many papers for specific explanations.
Wei Yang Samuel Lim +7 more
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Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, 2021 It was studied some physical and chemical properties of 2,4-dihydroxy quinoline derivative diazo dyes by theoretical methods. Six different solvents were used to determine the solvatochromic behavior and absorption of the compounds, and the experimental ...
Nesrin Şener, Muhammet Çavuş
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ReactionsThis mini-review discusses recent advances in the rigorous application of Bonding Evolution Theory (BET) to elucidate electron rearrangements in cycloaddition reactions occurring in both ground and electronically excited states.
Leandro Ayarde-Henríquez +4 more
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Computational Investigation of Structure and Reactivity of Methyl Hydrazinecarbodithioate [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2018 In this study, we theoretically investigated Methyl hydrazinecarbodithioate by quantum chemical calculations for geometry optimization, vibration frequencies, and electronic structure parameters. The geometry optimization by DFT, ab initio MP2 method and
Bhuvanendra Singh +3 more
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Electron localization functions and local measures of the covariance
Journal of Chemical Sciences, 2005 The electron localization measure proposed by Becke and Edgecombe is shown to be related to the covariance of the electron pair distribution. Just as with the electron localization function, the local covariance does not seem to be, in and of itself, a useful quantity for elucidating shell structure.
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Local correlation functional for electrons in two dimensions [PDF]
Physical Review B, 2008 We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation for the pair density.
Pittalis, S., Rasanen, E., Marques, M.
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International Journal of Quantum Chemistry, 2012 AbstractThis work proposes a new molecular orbital localization procedure. The approach is based on the decomposition of the overlap matrix in accordance with the partitioning of the three‐dimensional physical space into basins with clear chemical meaning arising from the topological analysis of the electron localization function.
Oña, Ofelia Beatriz +4 more
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Mapping an electron wave function by a local electron scattering probe
New Journal of Physics, 2015 A technique is developed which allows for the detailed mapping of the electronic wave function in two-dimensional electron gases with low-temperature mobilities up to 15E6 cm^2/Vs. Thin ("delta") layers of aluminium are placed into the regions where the electrons reside. This causes electron scattering which depends very locally on the amplitude of the
Reichl, Christian +5 more
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APEX Fingerprinting Reveals the Subcellular Localization of Proteins of Interest
Cell Reports, 2016 Deciphering the sub-compartmental location of a given protein of interest may help explain its physiological function, but it can be challenging to do using optical or biochemical methods. Imaging with electron microscopy (EM) can provide highly resolved
Song-Yi Lee +5 more
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