Works matching DE "DENSITY functionals"
Results: 5000
Mixed Fair Division: A Survey.
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- Journal of Artificial Intelligence Research, 2024, v. 80, p. 1373, doi. 10.1613/jair.1.15800
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Seeing the Wood for the Trees: A Critical Evaluation of Methods to Estimate the Parameters of Stochastic Differential Equations.
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- Journal of Financial Econometrics, 2007, v. 5, n. 3, p. 390, doi. 10.1093/jjfinec/nbm009
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- Article
ECONOMIES OF DENSITY VERSUS NATURAL ADVANTAGE: CROP CHOICE ON THE BACK FORTY.
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- Review of Economics & Statistics, 2012, v. 94, n. 1, p. 1, doi. 10.1162/REST_a_00149
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- Article
Multivariate Density Forecast Evaluation and Calibration in Financial Risk Management: High...
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- Review of Economics & Statistics, 1999, v. 81, n. 4, p. 661, doi. 10.1162/003465399558526
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- Article
Quantum-Chemical Studies on TATB Processes.
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- Journal of Energetic Materials, 2010, v. 28, n. 2, p. 98, doi. 10.1080/07370650903222569
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- Article
A DFT Study on Nitro Derivatives of Pyridine.
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- Journal of Energetic Materials, 2010, v. 28, n. 2, p. 139, doi. 10.1080/07370650903273224
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- Article
A Theoretical Study on Nitrourea and its Tautomers.
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- Journal of Energetic Materials, 2008, v. 26, n. 3, p. 181, doi. 10.1080/07370650801922419
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- Article
Theoretical Investigation of the Relationship between Impact Sensitivity and the Charges of the Nitro Group in Nitro Compounds.
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- Journal of Energetic Materials, 2005, v. 23, n. 2, p. 107, doi. 10.1080/07370650590936433
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Computational Study of Picric Acid and Potassium Picrate.
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- Journal of Energetic Materials, 2005, v. 23, n. 2, p. 121, doi. 10.1080/07370650590936442
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Segmentation of the fibro-glandular disc in mammograms using Gaussian mixture modelling.
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- 2004
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- journal article
LABOR MARKET DISCRIMINATION, IMPERFECT INFORMATION AND SELF EMPLOYMENT*.
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- Oxford Economic Papers, 1992, v. 44, n. 2, p. 272, doi. 10.1093/oxfordjournals.oep.a042046
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- Article
Stretched Central Double Bonds in Dialumene and Disilene by Amino Substituents: A Case of Lone Pair Repulsion.
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- Chemistry - A European Journal, 2023, v. 29, n. 58, p. 1, doi. 10.1002/chem.202301862
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- Article
Enantio‐ and Diastereomerically Pure Titanocenes by Dynamic Conformational Locking.
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- Chemistry - A European Journal, 2023, v. 29, n. 48, p. 1, doi. 10.1002/chem.202301645
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- Article
Benchmarking of Density Functionals for the Description of Optical Properties of Newly Synthesized π‐Conjugated TADF Blue Emitters.
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- Chemistry - A European Journal, 2022, v. 28, n. 16, p. 1, doi. 10.1002/chem.202104411
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- Article
Coupling Nano and Atomic Electric Field Confinement for Robust Alkaline Oxygen Evolution.
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- Angewandte Chemie, 2024, v. 136, n. 28, p. 1, doi. 10.1002/ange.202405438
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- Article
Twisted Diindeno‐Fused Dibenzo[a,h]anthracene Derivatives and their Dianions.
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- Angewandte Chemie, 2023, v. 135, n. 34, p. 1, doi. 10.1002/ange.202307750
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- Article
Applying Machine Learning to Rechargeable Batteries: From the Microscale to the Macroscale.
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- Angewandte Chemie, 2021, v. 133, n. 46, p. 24558, doi. 10.1002/ange.202107369
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- Article
Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions.
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- Angewandte Chemie, 2020, v. 132, n. 27, p. 10956, doi. 10.1002/ange.202001576
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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
Efficient Dye-Sensitized Solar Cells with Potential-Tunable Organic Sulfide Mediators and Graphene-Modified Carbon Counter Electrodes.
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- Advanced Functional Materials, 2013, v. 23, n. 26, p. 3344, doi. 10.1002/adfm.201203374
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- Article
Multivariate Regular Variation of Discrete Mass Functions with Applications to Preferential Attachment Networks.
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- Methodology & Computing in Applied Probability, 2018, v. 20, n. 3, p. 1029, doi. 10.1007/s11009-016-9503-x
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- Article
Number of Jumps in Two-Sided First-Exit Problems for a Compound Poisson Process.
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- Methodology & Computing in Applied Probability, 2016, v. 18, n. 3, p. 747, doi. 10.1007/s11009-015-9453-8
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- Article
Empirical Mark Covariance and Product Density Function of Stationary Marked Point Processes-A Survey on Asymptotic Results.
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- Methodology & Computing in Applied Probability, 2014, v. 16, n. 2, p. 283, doi. 10.1007/s11009-012-9314-7
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- Article
Exact Distribution of the Product of N Student's t RVs.
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- Methodology & Computing in Applied Probability, 2012, v. 14, n. 4, p. 997, doi. 10.1007/s11009-011-9216-0
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- Article
Exact and Asymptotically Optimal Bandwidths for Kernel Estimation of Density Functionals.
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- Methodology & Computing in Applied Probability, 2012, v. 14, n. 3, p. 523, doi. 10.1007/s11009-011-9243-x
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- Article
The First Passage Time Problem for Gauss-Diffusion Processes: Algorithmic Approaches and Applications to LIF Neuronal Model.
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- Methodology & Computing in Applied Probability, 2011, v. 13, n. 1, p. 29, doi. 10.1007/s11009-009-9132-8
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- Article
First Passage Densities and Boundary Crossing Probabilities for Diffusion Processes.
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- Methodology & Computing in Applied Probability, 2008, v. 10, n. 4, p. 621, doi. 10.1007/s11009-008-9070-x
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- Article
Approximating Perpetuities.
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- Methodology & Computing in Applied Probability, 2008, v. 10, n. 4, p. 507, doi. 10.1007/s11009-007-9059-x
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- Article
Editorial.
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- 2007
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- Editorial
On the Asymptotic Behavior of First Passage Time Densities for Stationary Gaussian Processes and Varying Boundaries.
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- Methodology & Computing in Applied Probability, 2003, v. 5, n. 2, p. 211, doi. 10.1023/A:1024561819675
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- Article
First-principles study of A-site substitution in ferroelectric bismuth titanate.
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- Journal of Materials Science, 2014, v. 49, n. 18, p. 6363, doi. 10.1007/s10853-014-8363-4
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Performance of genetic algorithms in search for water splitting perovskites.
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- Journal of Materials Science, 2013, v. 48, n. 19, p. 6519, doi. 10.1007/s10853-013-7448-9
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Wetting and adhesion at Mg/MgO interfaces.
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- Journal of Materials Science, 2013, v. 48, n. 17, p. 6008, doi. 10.1007/s10853-013-7397-3
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The stability and elastic properties of NaCl-type MN (M = Ti, V, Zr, Nb, and Ta) compounds investigated by first principles.
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- Journal of Materials Science, 2013, v. 48, n. 9, p. 3443, doi. 10.1007/s10853-012-7132-5
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Theoretical study on the structure and stability of aluminum hydride (AlH) clusters.
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- Journal of Materials Science, 2013, v. 48, n. 6, p. 2647, doi. 10.1007/s10853-012-7058-y
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Adsorption of CHS and CFS on Pt(111) surface: a density functional theory study.
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- Journal of Materials Science, 2013, v. 48, n. 5, p. 2277, doi. 10.1007/s10853-012-7005-y
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- Article
The effect of the phase transition on the elasticity of cubic platinum carbide.
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- Journal of Materials Science, 2013, v. 48, n. 4, p. 1660, doi. 10.1007/s10853-012-6924-y
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Transition from ferro- to ferrimagnetic ordering via Mn-disorder in (Ni,Co)MnGa quaternary Heusler alloy.
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- Journal of Materials Science, 2013, v. 48, n. 4, p. 1837, doi. 10.1007/s10853-012-6949-2
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The pressure effect on the electronic and optical properties of ReN: first-principles calculations.
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- Journal of Materials Science, 2013, v. 48, n. 1, p. 311, doi. 10.1007/s10853-012-6747-x
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- Article
First-principles DFT modeling of nuclear fuel materials.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7367, doi. 10.1007/s10853-012-6471-6
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First principles investigation of the structure and stability of LiNiO doped with Co and Mn.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7558, doi. 10.1007/s10853-012-6299-0
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- Article
Polarization, piezoelectric properties, and elastic coefficients of InGaN solid solutions from first principles.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7587, doi. 10.1007/s10853-012-6351-0
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- Article
Hydrogen uptake by graphene and nucleation of graphane.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7571, doi. 10.1007/s10853-012-6447-6
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The role of f-states in the electronic and optical properties of rare-earth trifluorides (RF, R = Ce and Gd): a full potential study.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7665, doi. 10.1007/s10853-012-6459-2
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First-principles study of CaCu<sub>3</sub>B<sub>4</sub>O<sub>12</sub> (B=Co, Rh, Ir).
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7660, doi. 10.1007/s10853-012-6530-z
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- Article
Pressure-dependent electronic properties of MgO polymorphs: a first-principles study of Compton profiles and autocorrelation functions.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7549, doi. 10.1007/s10853-012-6521-0
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Recent progress in ab initio simulations of hafnia-based gate stacks.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7399, doi. 10.1007/s10853-012-6568-y
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Computing solubility products using ab initio methods.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7601, doi. 10.1007/s10853-012-6590-0
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Native point defects in binary InP semiconductors.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7482, doi. 10.1007/s10853-012-6595-8
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Evolution of atomic and electronic structure of magnetic Gd-doped gold clusters.
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- Journal of Materials Science, 2012, v. 47, n. 21, p. 7642, doi. 10.1007/s10853-012-6632-7
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- Article