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Results 1-10 of 11 (Search time: 0.023 seconds).
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Issue Date
Title
Author(s)
1-Jul-2015
Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of 𝛿-Bi2O3
Galván, D.H.; Núñez-González, R.; Rangel, R.; Alemany i Cahner, Pere; Posada-Amarillas, A.
5-Nov-2015
Structural control over spin localization in triarylmethyls
Alcón Rovira, Isaac; Bromley, Stefan Thomas
15-Dec-2018
Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materials
Roncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
24-Oct-2014
Experimental and ab initio studies of the reactive processes in gas phase i-C3H7Br and i-C3H7OH collisions with potassium ions
López Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Bassi, Davide; Aguilar Navarro, Antonio
2015
Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchange
Notario Estévez, Almudena; Kozlov, Sergey; Viñes Solana, Francesc; Illas i Riera, Francesc
7-Jun-2018
Donor-anion interactions in quarter-filled low-dimensional organic conductors
Pouget, Jean-Paul; Alemany i Cahner, Pere; Canadell, Enric, 1950-
16-Nov-2016
Effects of electron transfer in model catalyst composed of Pt nanoparticles on CeO2(111) surface
Kozlov, Sergey; Neyman, Konstantin M.
5-Jan-2017
Versatile optimization of chemical ordering in bimetallic nanoparticles
Kovács, Gábor; Kozlov, Sergey; Neyman, Konstantin M.
12-Apr-2016
Tuning Crystal Ordering, Electronic Structure, and Morphology in Organic Semiconductors: Tetrathiafulvalenes as a Model Case
Pfattner, Raphael; Bromley, Stefan Thomas; Rovira i Angulo, Concepció; Mas Torrent, Marta
2018
Estructura electrònica i propietats de sistemes multifuncionals: materials derivats del bisditiazolil
Roncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
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Author
3
Alemany i Cahner, Pere
3
Kozlov, Sergey
2
Bromley, Stefan Thomas
2
Canadell, Enric, 1950-
2
Deumal i Solé, Mercè
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Subject
11
Estructura electrònica
3
Density functionals
3
Teoria del funcional de densitat
2
Compostos orgànics
2
Conductivitat elèctrica
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Date issued
3
2018
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2017
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2016
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2015
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2014
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