| Topic | Author | Page | View Pdf |
| Foreword | 367 | Click | |
| Chemical hardness and density functional theory | Ralph G Pearson | 369–377 | Click |
| DFT reactivity indices in confined many-electron atoms | Jorge Garza, Rubicelia Vargas, Norberto Aquino and K D Sen | 379–386 | Click |
| The electron-propagator approach to conceptual density-functional theory | Junia Melin, Paul W Ayers and J V Ortiz | 387–400 | Click |
| A density functional theory-based chemical potential equalisation approach to molecular polarizability | Amita Wadehra and Swapan K Ghosh | 401–409 | Click |
| Relation between the Fukui function and the Coulomb hole | P Senet and M Yang | 411–418 | Click |
| Condensation of the highest occupied molecular orbital within the electron localization function domains | E Chamorro, M Duque, C Cárdenas, J Santos, W Tiznado and P Fuentealba | 419–424 | Click |
| Molecular quantum similarity using conceptual DFT descriptors | Patrick Bultinck and Ramon Carbó-Dorca | 425–435 | Click |
| Hardness and excitation energy | Á Nagy | 437–440 | Click |
| Electron localization functions and local measures of the covariance | Paul W Ayers | 441–454 | Click |
| Geometric
interpretation of density displacements and charge sensitivities |
Roman F Nalewajski |
455–466 | Click |
| The
reaction force: Three key points along an intrinsic reaction coordinate |
Peter Politzer, Alejandro Toro-Labbé, Soledad Gutiérrez-Oliva, Bárbara Herrera, Pablo Jaque, Monica C Concha and Jane S Murray | 467–472 | Click |
| On the significance of ELF basins | Andreas Savin | 473–475 | Click |
| Dynamic behavior of chemical reactivity indices in density functional theory: A Bohn–Oppenheimer quantum molecular dynamics study | Shubin Liu | 477–483 | Click |
| Third-order energy derivative corrections to the Kohn–Sham orbital hardness tensor | Tzonka Mineva | 485–490 | Click |
| Equalization equations in reactant resolution | Jacek Korchowiec | 491–495 | Click |
| Separability of local reactivity descriptors | Akhilesh Tanwar and Sourav Pal | 497–505 | Click |
| Generalized density-functional theory: Conquering the N-representability problem with exact functionals for the electron pair density and the second-order reduced density matrix | Paul W Ayers and Mel Levy | 507–514 | Click |
| The coordination chemistry of boron porphyrin complexes B2OX2 (TpYPP) (X = OH, F; Y = Cl, CH3) and their chemical reactivities | G I Cárdenas–Jirón, F Espinoza–Leyton and T L Sordo | 515–524 | Click |
| Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint | Francisco Méndez, María de L Romero and José L Gazquez | 525–531 | Click |
| Application of localized reactivity index in combination with periodic DFT calculation to rationalize the swelling mechanism of clay type inorganic material | Abhijit Chatterjee | 533–539 | Click |
| A philicity based analysis of adsorption of small molecules in zeolites | Angeles Cuán, Marcelo Galván and Pratim Kumar Chattaraj | 541–548 Supporting Information |
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| Basis set effects on energy and hardness profiles of the hydrogen fluoride dimer | Miquel Torrent-Sucarrat, Miquel Duran, Josep M Luis and Miquel Solà | 549–554 |
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| Performance of density functional theory methods to describe intramolecular hydrogen shifts | Nelly González-Rivas and Andrés Cedillo | 555–560 | Click |
| Regioselectivity in the [2 + 2] cyclo-addition reaction of triplet carbonyl compounds to substituted alkenes (Paterno–Büchi reaction): A spin-polarized conceptual DFT approach | B Pintér, F De Proft, T Veszprémi and P Geerlings | 561–571 | Click |
| Bottlenecks in the prediction of regioselectivity of [4 + 2] cycloaddition reactions: An assessment of reactivity descriptors | G Gayatri and G Narahari Sastry | 573–582 | Click |
| Investigation of the role of the C–PCM solvent effect in reactivity indices | Piotr Ordon and Akitomo Tachibana | 583–589 | Click |
| Study of atomic and condensed atomic indices for reactive sites of molecules | P Kolandaivel, G Praveena and P Selvarengan | 591–598 | Click |
| A conceptual DFT approach towards analyzing toxicity | U Sarkar, D R Roy, P K Chattaraj, R Parthasarathi, J Padmanabhan and V Subramanian | 599–612 Supporting Information |
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| Some late-term thoughts of a density-functional theorist | Robert G Parr | 613–615 | Click |