Results 261 to 270 of about 13,953,648 (316)

Defect States in the Electronic Structure of Ga₂O₃ Transparent Conductive Oxide Surfaces. [PDF]

J Phys Chem C Nanomater Interfaces
Pyatenko E, Wansorra C, Steininger R, Vinson J, Witte W, Hariskos D, Powalla M, Heske C, Weinhardt L, Hauschild D.   +9 more
europepmc   +1 more source

Ru-induced electronic structure modulation of NiSnSe@GO boosted oxygen and hydrogen evolution reaction under alkaline conditions. [PDF]

RSC Adv
Jabeen A, Nazir A, Bashir S, Iqbal M, Owais M, Tariq H, Kaleli M, Akyürekli S, Ali A.   +8 more
europepmc   +1 more source

Synthetic Mechanism of a Fe(II) <i>N</i>-Heterocyclic Carbene Bidentate Complex Revealed by Electronic Structure Methods. [PDF]

Inorg Chem
Abdelgawwad AMA, Carrillo U, Gros PC, Cebrián C, Francés-Monerris A.   +4 more
europepmc   +1 more source

Exploring the Influence of Electronic Structure on Electrocatalytic Nitrate Reduction to Ammonia. [PDF]

Chem Asian J
Samui S, Bhattacharya S, Dey RS.
europepmc   +1 more source

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations [PDF]

Journal of Chemical Physics, 2020
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems.
Vladimir Rybkin, Gregory Schenter, Thomas Kühne   +2 more
exaly   +2 more sources

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Electronic Structure of Terpenoids

The Journal of Organic Chemistry, 2001
Terpenoids with the general formula C15H24 and their oxy derivatives are an interesting class of natural products, which occur in many plant species. The structural formulas of the compounds studied are shown in Figures 1−3. Most of them are used as fragrance ingredients, while some (e.g., 9) are plant growth regulators.
Novak, I., Kobač, B., Kovačević, G.
openaire   +4 more sources

Electronic Spectra and Electronic Structures of Aminoanthracenes

Journal of Pharmaceutical Sciences, 1973
The electronic absorption and fluorescence spectra of the cation derived from 9-aminoanthracene (9-anthrylamine), in water, are anomalous by comparison with those of the 1- and 2-anthrylammonium ions. The similarities of the spectra of the cation of 9-anthrylamine with those of anthrone and its cation lead to the conclusion that the former cation is ...
S G, Schulman, P J, Kovi, G, Torosian, H, McVeigh, D, Carter   +4 more
openaire   +2 more sources

Electronic structure of holmium

Physical Review B, 1991
We report a study of the valence-band electronic structure of the rare-earth metal holmium. Angle-resolved ultraviolet photoemission experiments have been performed on Ho(0001) and the results compared to first-principles photocurrent calculations. The photoemission results show a number of well-resolved features that do not disperse with photon energy
, Blyth, , Barrett, , Dhesi, , Cosso, , Heritage, , Begley, , Jordan   +6 more
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Electronic structure of YbN

Physical Review B, 1990
Large single crystals of cubic and stoichiometric YbN have been grown. On these crystals we measured the optical reflectivity for photon energies between 1 meV and 12 eV, also at helium temperatures, and performed a Kramers-Kronig analysis to obtain the optical constants.
, Degiorgi, , Bacsa, , Wachter
openaire   +2 more sources