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Data for: Influence of changes in electronic structure on magnetocrystalline anisotropy of YCo5 and related compounds
Dataset
oleh Asali, Ahmad
Terbitan: Mendeley, 2019
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-fwgwkjxwf2.1
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Implementation of the quasiparticle finite amplitude method within the relativistic self-consistent mean-field framework: The program DIRQFAM
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2020
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-6gv8nxg4ns.1
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A java application to characterize biomolecules and nanomaterials in electrolyte aqueous solutions
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2019
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-4t8ybf93d5.1
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ELSI: A unified software interface for Kohn–Sham electronic structure solvers
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2017
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-y8vzhzdm62.1
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PROCAR and OUTCAR for PBEsol +SoC CdTe calculations
Dataset
oleh Whalley, Lucy
Terbitan: Mendeley, 2016
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-ksvm65vsfz.1
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Data for: Generalised stacking fault energy of Ni-Al and Co-Al-W superalloys: Density-functional theory calculations
Dataset
oleh Vorontsov, Vassili
Terbitan: Mendeley, 2020
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-yfvkvc9fpf.1
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The Abinit project: Impact, environment and recent developments
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2020
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-csvdrr4d68.1
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Jx: An open-source software for calculating magnetic interactions based on magnetic force theory
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2019
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-kg5x95gwgj.1
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Accuracy of the HSE hybrid functional to describe many-electron interactions and charge localization in semiconductors
Dataset
oleh Flores, Mauricio A.
Terbitan: Mendeley, 2018
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-jyzzjrwshp.1
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Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2020
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-35jxxtzpdn.1
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PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2018
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-7vzk5gxzh3.1
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PyProcar: A Python library for electronic structure pre/post-processing
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2019
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-d4rrfy3dy4.1
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Cucheb: A GPU implementation of the filtered Lanczos procedure
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2017
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-rjr9tzchmh.1
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Data for: Enhanced relative stability of heterobimetallic clusters of Fe(II), Zn(II), and Mg(II) supported by a u-phenoxo bridge
Dataset
oleh Kerber, Will
Terbitan: Mendeley, 2020
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-yxxzhng979.1
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Datasets relating to "G-phase strengthened iron alloys by design"
Dataset
oleh King, Daniel
Terbitan: Mendeley, 2019
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-pn8th3kb44.1
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Data for: Molecular modeling and simulation of some efficient charge transfer materials using density functional theory
Dataset
oleh Siddiqui, Shamoon Ahmad
Terbitan: Mendeley, 2019
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-kp86gf6spb.1
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Data for: Uranium separation from acid mine drainage using anionic resins - An experimental/theoretical investigation of its chemical speciation and the interaction mechanism
Dataset
oleh Duarte, Hélio
Terbitan: Mendeley, 2018
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-n99chz5kvg.1
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CoFFEE: Corrections For Formation Energy and Eigenvalues for charged defect simulations
Dataset
oleh Ballantyne, John
Terbitan: Mendeley, 2018
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-s2x4d542dc.1
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Influence of changes in electronic structure on magnetocrystalline anisotropy of YCo5 and related compounds
Dataset
oleh Asali, Ahmad
Terbitan: Mendeley, 2019
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-g4yc9wpvff.1
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Adsorption of phenanthroline and its derivatives on Au (111) surface - Influence of substitution on structure and electronic properties
Dataset
oleh Senthilkumar, K.
Terbitan: Mendeley, 2020
Institusi: Universitas Islam Indragiri
Gedung: Teknologi Pangan UNISI
Lokasi Repository IOS Number
INDRAGIRI HILIRArtikel mulonoIOS7969.0.17632-7x26dr49pb.1
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Persempit Pencarian

Hapus Filter
Topik: Density Functional Theory
Sektor
42 Library University 25 Special 17
Institusi
21 Universitas Islam Indragiri 17 ZAIN Publications 6 Universitas PGRI Palembang 3 DEFAULT 1 Institut Teknologi Sumatera
Koleksi
21 Artikel mulono 17 Cognizance Journal of Multidisciplinary Studies 3 DEFAULT 1 OPAC UPT Perpustakaan ITERA
Format
41 Other 23 Journal 1 Book Book 1 less ...
Topik
Density Functional Theory 10 Computational Physics 5 Hubbard Parameter 5 Local Density Approximation 5 Perovskite 5 Quantum ESPRESSO more ... 4 DFT 4 Electronic Structure 3 Antiferromagnetic 3 Chemistry 3 graphene 2 CTR 2 Catalyst 2 Electrochemistry 2 Kondo effect 2 Latex 2 Master 2 Platinum 2 Quantum Mechanics 2 SIESTA 2 SPRING 2 Scanning Tunnelling Microscopy 2 Semiconductors 2 Stability 2 Thesis 2 X-ray Diffraction 2 magnetism 2 on-surface synthesis 2 scanning tunneling microscopy 2 scanning tunneling spectroscopy 2 spin polarization 1 2D Materials 1 530 1 Acid zeolite 1 Adsorción de tiofenos 1 Air Quality Monitoring 1 Aluminum 1 Astrochemistry 1 Atmospheric radicals 1 Atomic Clusters 1 Atroposelectivity 1 BSE 1 Bethe-Salpeter-Equation 1 Biomolecules 1 Biophysics 1 Boron-nitride nanotube 1 CoO2 1 Cobalt-Based Superalloys 1 Computational Chemistry 1 Computational Materials Science less ...
Pengarang
10 Ballantyne, John 5 Nagata Tejada, Shigueru Emilio Antonio 2 Asali, Ahmad 2 Calle-Vallejo, Federico 2 Cherevko, Serhiy 2 Drnec, Jakub more ... 2 Foster, Adam S. 2 Frederiksen, Thomas 2 Friedrich, Niklas 2 Fuchs, Timo 2 Harrington, David A. 2 Li, Jingcheng 2 Magnussen, Olaf M. 2 Pascual, Jose Ignacio 2 Peña, Diego 2 Ruge, Martin 2 Sandbeck, Daniel J. S. 2 Stubb, Natalie 1 Ahmad Seif 1 Asadollah Boshra 1 Blum, Volker 1 Brandimarte, Pedro 1 Castro-Esteban, Jesus 1 Cocchi, Caterina 1 Cooper, Brandon 1 DePrince III, Eugene 1 Debesh R. Roy 1 Dimosthenous, Stavrina 1 Draxl, Claudia 1 Duarte, Hélio 1 Duarte-Ruiz, Daniel 1 Flores, Mauricio A. 1 Garcia-Lekue, Aran 1 Germán Molpeceres 1 Goings, Joshua 1 Grofe, Adam 1 Gérald Monard 1 HUMBERTO SOSCUN 1 Hammes-Schiffer, Sharon 1 Hoyer, Chad 1 Hu, Hang 1 Hurtado, Iker 1 Ilknur Dogan 1 Jiří Klimeš 1 Johannes Kästner 1 Joseph Kioseoglou 1 Kaltsas, Dimitrios 1 Kerber, Will 1 King, Daniel 1 Kokott, Sebastian less ...
Bahasa
11 eng 6 spa 1 ind
Tahun
15 2020 13 2019 5 2018 4 2021 2 2017 2 2022 more ... 1 2008 1 2013 1 2015 1 2016 less ...
Penerbit
21 Mendeley 1 Fisika

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