Density Functional Theory
Advances in Density Functional Theory, Volume 33 - 1st Edition
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Hydrogen Adsorption on Platinum-Gold Bimetallic
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Predictive Materials Modeling for Li-Air Battery Systems
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Density functional theory (DFT) and the concepts of the
Modern density functional theory – from physics to coding
Institut für Theoretische Physik
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Science Magazine - January 6, 2017 - Page 28
A density functional theory based analysis of photoinduced
Energy Density Functional Theory of Many-Electron Systems
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Localizing Electron Density Errors in Density Functional Theory
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a) Flow diagram of methods used: Density Functional Theory
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Emergence in Practice: Case Studies Using Density Functional
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ATLAS: A real-space finite-difference implementation of
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MRS Bulletin: Volume 31 - Density Functional Theory in
Magnetic Properties of YBa2Cu3O6 Studied by Density
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Charge distribution in YBa2Cu3O7 and YBa2Cu4O8 by density
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Density functional theory : a bridge between chemistry and
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Density Functional Theory A Powerful Tool for Solving the
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Orbital Polarization in Relativistic Density Functional
Quantum Optimal Control Theory: Filter Techniques, Time
Foundations of Time-dependent Density Functional Theory
Density functional theory (DFT) calculations of VI/V
Thiourea Derivatives As Steel Corrosion Inhibitors: Density Functional Theory and Experimental Studies
Coordination and Siting of Cu+ Ion Adsorbed into Silicalite
Pincer Complexes with Isopropyl Substituents A Density
CompChem 05 03 Density Functional Theory: Hohenberg-Kohn Theorems
Catalysts | Free Full-Text | Using Density Functional Theory
Orbital-free density functional theory for materials
Catalysts | Free Full-Text | Using Density Functional Theory
Density functional theory is straying from the path toward
Density-Functional Theory+Dynamical Mean-Field Theory Study
Distinguishing Nitro vs Nitrito Coordination in Cytochrome c
Density Functional Theory
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Density Functional Theory | SpringerLink
Electronic Structures of Semiconductor Quantum Dots: A
Molecular density functional theory for multiscale modeling
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Ab-initio Density Functional Theory: from quantum dots to solar cell
Density Functional Theory Calculations | IntechOpen
Density Functional Theory: Advances in Applications|NOOK Book
Density Functional Theory Study of Oxygen Carrier Mn3O4(001
Density Functional Theory Study of Ni Clusters Supported on
A Chemist's Guide to Density Functional Theory : Max C
Dft presentation
Density functional theory study of carbazole dyes: Potential
Small molecule adsorption in open-site metal-organic
Density Functional Theory Investigations of Surface Structure
Doping and defects in YBa2Cu3O7: Results from hybrid density
A conundrum for density functional theory | Science
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PPT - Density Functional Theory of Liquids Applications to
Density functional theory (DFT) and the concepts of the
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Using Density Functional Theory to Rationally Design Ru(II
Investigation of vacancy diffusion in crystalline LIPON
Density functional theory (DFT) calculated band structure
Density Functional Theory : Eberhard K U Gross : 9781475799774
A locally analytic density functional theory describing
Density Functional Theory : a brief introduction - Semantic
Density Functional Theory Richard M Martin University of
Density Functional Theory and Experimental Study, 978-3-330
Retardation in Electron Dynamics Simulations Based on Time
Molecules | Free Full-Text | Time-Resolved Spectroscopic and
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Density Functional Theory Studies of Electronic Structures
Quantitative Structure-Activity/Property/Toxicity
Prediction of new iodine-containing apatites using machine
An experimental and density functional theory study of the
Density Functional Theory of Molecules, Clusters, and Solids
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