Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
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Pressure dependence of Curie temperature and resistivity in complex Heusler alloysChemical bonding, elasticity, and valence force field models: A case study for α − Pt 2 Si and PtSiSystematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systemsElectronic structure of small copper oxide clusters: From Cu 2 O to Cu 2 O 4Higher-order finite-difference pseudopotential method: An application to diatomic moleculesFirst-principles calculation of the magnetocrystalline anisotropy energy of iron, cobalt, and nickelOptimized Lieb-Oxford bound for the exchange-correlation energySmall Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error SourcesCoherent ultrafast spin-dynamics probed in three dimensional topological insulatorsDensity-functional theory of the correlation energy in atoms and ions: A simple analytic model and a challengeVariational theory of multicomponent quantum fluids: An application to positron-electron plasmas at T=0Extremal properties of the Harris-Foulkes functional and an improved screening calculation for the electron gasFine-structure-resolved laser-photodetachment electron spectroscopy of In −All-electron and pseudopotential study of the spin-polarization of the V(001) surface: LDA versus GGADensity-functional theory in strong magnetic fieldsExcitation Energies from Time-Dependent Density-Functional TheoryIdentification of small molecule inhibitors of anthrax lethal factorUnexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteinsTwo Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferasesSubstrate specificity of fluoroacetate dehalogenase: an insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computationsThe Mechanism of the Amidases: MUTATING THE GLUTAMATE ADJACENT TO THE CATALYTIC TRIAD INACTIVATES THE ENZYME DUE TO SUBSTRATE MISPOSITIONINGConformational diversity and enantioconvergence in potato epoxide hydrolase 1Solution structure of nodularin. An inhibitor of serine/threonine-specific protein phosphatasesEvolution of DFT studies in view of a scientometric perspectiveCatalytic mechanism investigation of lysine-specific demethylase 1 (LSD1): a computational studyA multiscale approach to modelling drug metabolism by membrane-bound cytochrome P450 enzymesExploring Strong Interactions in Proteins with Quantum Chemistry and Examples of Their Applications in Drug DesignConformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation EquilibriaHighly-efficient charge separation and polaron delocalization in polymer-fullerene bulk-heterojunctions: a comparative multi-frequency EPR and DFT studyUnique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammoniaQuantum-chemical insights from deep tensor neural networks.A quantum chemical study of the mechanisms of olefin addition to group 9 transition metal dioxo compoundsEvidence for a chemical clock in oscillatory formation of UiO-66Size dependence of the structures and energetic and electronic properties of gold clustersStructure and energetics of small gold nanoclusters and their positive ionsThe length, strength and polarity of metal–carbon bonds: dialkylzinc compounds studied by density functional theory calculations, gas electron diffraction and photoelectron spectroscopyGold clusters(AuN,2<~N<~10)and their anionsReal-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.Solid-phase synthesis of reduced selenocysteine tetrapeptides and their oxidized analogs containing selenenylsulfide eight-membered rings.Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations
P2860
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P2860
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
description
1980 nî lūn-bûn
@nan
1980 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
1980 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
1980年の論文
@ja
1980年論文
@yue
1980年論文
@zh-hant
1980年論文
@zh-hk
1980年論文
@zh-mo
1980年論文
@zh-tw
1980年论文
@wuu
name
Accurate spin-dependent electr ...... culations: a critical analysis
@ast
Accurate spin-dependent electr ...... culations: a critical analysis
@en
Accurate spin-dependent electr ...... culations: a critical analysis
@nl
type
label
Accurate spin-dependent electr ...... culations: a critical analysis
@ast
Accurate spin-dependent electr ...... culations: a critical analysis
@en
Accurate spin-dependent electr ...... culations: a critical analysis
@nl
prefLabel
Accurate spin-dependent electr ...... culations: a critical analysis
@ast
Accurate spin-dependent electr ...... culations: a critical analysis
@en
Accurate spin-dependent electr ...... culations: a critical analysis
@nl
P2093
P3181
P356
P1476
Accurate spin-dependent electr ...... culations: a critical analysis
@en
P2093
P304
P3181
P356
10.1139/P80-159
P577
1980-08-01T00:00:00Z