| scholarly article | Q13442814 |
| P356 | DOI | 10.1021/CR200107Z |
| P698 | PubMed publication ID | 22191548 |
| P50 | author | Aron J Cohen | Q59545767 |
| P2093 | author name string | Weitao Yang | |
| Paula Mori-Sánchez | |||
| P433 | issue | 1 | |
| P304 | page(s) | 289-320 | |
| P577 | publication date | 2011-12-22 | |
| P1433 | published in | Chemical Reviews | Q900502 |
| P1476 | title | Challenges for density functional theory | |
| P478 | volume | 112 |
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| Q38210222 | Applications of density functional theory to iron-containing molecules of bioinorganic interest |
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| Q44835933 | Band gaps from the Tran-Blaha modified Becke-Johnson approach: a systematic investigation |
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| Q58191394 | Communication: Two types of flat-planes conditions in density functional theory |
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| Q51071092 | Communication: the description of strong correlation within self-consistent Green's function second-order perturbation theory. |
| Q58094046 | Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities |
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| Q92937910 | DFT Optimization of Isolated Molecular Chain Sheet Models Constituting Native Cellulose Crystal Structures |
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| Q28596051 | Effect of Li Adsorption on the Electronic and Hydrogen Storage Properties of Acenes: A Dispersion-Corrected TAO-DFT Study |
| Q40973928 | Effect of Li Termination on the Electronic and Hydrogen Storage Properties of Linear Carbon Chains: A TAO-DFT Study |
| Q47645997 | Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue. |
| Q53613606 | Effective scheme for partitioning covalent bonds in density-functional embedding theory: From molecules to extended covalent systems. |
| Q46481027 | Effects of chemical substitutions on the properties of azacalixphyrins: a first-principles study |
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| Q46854651 | Excited State and Non-linear Optical Properties of NIR Absorbing β-Thiophene-Fused BF2-Azadipyrromethene Dyes-Computational Investigation. |
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| Q51006449 | Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT. |
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