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A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water.
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- Angewandte Chemie, 2016, v. 128, n. 7, p. 2396, doi. 10.1002/ange.201508404
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- Article
Adatom mediated adsorption of N‐heterocyclic carbenes on Cu(111) and Au(111).
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- Journal of Computational Chemistry, 2022, v. 43, n. 6, p. 413, doi. 10.1002/jcc.26801
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- Article
Structural and Electrochemical Properties of F-Doped RbTiOPO 4 (RTP:F) Predicted from First Principles.
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- Crystals (2073-4352), 2024, v. 14, n. 1, p. 5, doi. 10.3390/cryst14010005
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Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family.
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- Crystals (2073-4352), 2023, v. 13, n. 10, p. 1423, doi. 10.3390/cryst13101423
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DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking.
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- Crystals (2073-4352), 2022, v. 12, n. 10, p. 1359, doi. 10.3390/cryst12101359
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- Article
Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.
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- Crystals (2073-4352), 2021, v. 11, n. 5, p. 542, doi. 10.3390/cryst11050542
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- Article
A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 7, p. 2350, doi. 10.1002/anie.201508404
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- Article
Cover Feature: Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation (Chem. Eur. J. 22/2023).
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- Chemistry - A European Journal, 2023, v. 29, n. 22, p. 1, doi. 10.1002/chem.202300788
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- Article
Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation.
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- Chemistry - A European Journal, 2023, v. 29, n. 22, p. 1, doi. 10.1002/chem.202203541
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- Article
Impact of finite‐temperature and condensed‐phase effects on theoretical X‐ray absorption spectra of transition metal complexes.
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- Journal of Computational Chemistry, 2019, v. 40, n. 5, p. 712, doi. 10.1002/jcc.25641
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- Article
[Cu<sub>6</sub>(NGuaS)<sub>6</sub>]<sup>2+</sup> and its oxidized and reduced derivatives: Confining electrons on a torus.
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- Journal of Computational Chemistry, 2017, v. 38, n. 20, p. 1752, doi. 10.1002/jcc.24798
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- Article
Current density analysis of electron transport through molecular wires in open quantum systems.
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- Journal of Computational Chemistry, 2017, v. 38, n. 19, p. 1685, doi. 10.1002/jcc.24812
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- Article
Optical response of the Cu<sub>2</sub>S<sub>2</sub> diamond core in.
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- Journal of Computational Chemistry, 2016, v. 37, n. 24, p. 2181, doi. 10.1002/jcc.24439
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- Article
The Cu<sub>2</sub> O<sub>2</sub> torture track for a real-life system: [ Cu<sub>2</sub>(btmgp)<sub>2</sub> O<sub>2</sub>]<sup>2+</sup> oxo and peroxo species in density functional calculations<sup>†</sup>.
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- Journal of Computational Chemistry, 2015, v. 36, n. 22, p. 1672, doi. 10.1002/jcc.23983
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- Article
Corrigendum: Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (Part II).
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- Journal of Computational Chemistry, 2015, v. 36, n. 4, p. 272, doi. 10.1002/jcc.23793
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- Article
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II).
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- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2146, doi. 10.1002/jcc.23740
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- Article
Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory<sup>†</sup>.
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- Journal of Computational Chemistry, 2014, v. 35, n. 1, p. 1, doi. 10.1002/jcc.23449
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- Article
Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties.
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- Surfaces (2571-9637), 2024, v. 7, n. 1, p. 79, doi. 10.3390/surfaces7010006
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- Article
Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.
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- Advanced Functional Materials, 2013, v. 23, n. 27, p. 3471, doi. 10.1002/adfm.201202808
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- Article
Bound polaron formation in lithium niobate from ab initio molecular dynamics.
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- Applied Physics A: Materials Science & Processing, 2022, v. 128, n. 6, p. 1, doi. 10.1007/s00339-022-05577-y
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- Article
Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons.
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- Physica Status Solidi (B), 2023, v. 260, n. 2, p. 1, doi. 10.1002/pssb.202200453
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Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties.
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- Physica Status Solidi (B), 2022, v. 259, n. 11, p. 1, doi. 10.1002/pssb.202200308
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GaInP/AlInP(001) Interfaces from Density Functional Theory.
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- Physica Status Solidi (B), 2022, v. 259, n. 1, p. 1, doi. 10.1002/pssb.202100462
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Band Alignment at Ga<sub>x</sub>In<sub>1–x</sub>P/Al<sub>y</sub>In<sub>1–y</sub>P Alloy Interfaces from Hybrid Density Functional Theory Calculations.
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- Physica Status Solidi (B), 2021, v. 258, n. 2, p. 1, doi. 10.1002/pssb.202000463
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- Article
Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution.
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- Physica Status Solidi (B), 2019, v. 256, n. 2, p. N.PAG, doi. 10.1002/pssb.201800314
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Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states.
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- Physica Status Solidi (B), 2004, v. 241, n. 12, p. R60, doi. 10.1002/pssb.200409060
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- Article