Conceptual density functional theory and its application in the chemical domain

Content: The Conceptual Density Functional Theory: Origin and Development to Study Atomic and Molecular HardnessNazmul IslamDensity Functional Theory for Chemical ReactivityRamon Alain Miranda-QuintanaComputing the Unconstrained Local HardnessRogelio Cuevas-Saavedra, Nataly Rabi, and Paul W. AyersGrand-Canonical Interpolation ModelsRamon Alain Miranda-Quintana, and Paul W. AyersChemical Equalization Principles and Their New ApplicationsSavas Kaya, Cemal Kaya, and Ime Bassey ObotInhibition of Metallic Corrosion by N,O,S Donor Schiff Base MoleculesSourav Kr. Saha and Priyabrata BanerjeeConceptual Density Functional Theory and Its Application to Corrosion Inhibition StudiesIme Bassey Obot, Savas Kaya, and Cemal KayaPhase Description of Reactive SystemsRoman F. NalewajskiFailures of Embedded Cluster Models for pKa Shifts Dominated by Electrostatic Effects Ahmed A. K. Mohammed, Steven K. Burger, and Paul W. AyersA Statistical Perspective on Molecular SimilarityFarnaz Heidar-Zadeh, Paul W. Ayers, and Ramon Carbo-DorcaModelling Chemical Reactions with Computers Yuli Liu and Paul W. AyersCalculation of Proton Affinity, Gas-Phase Basicity and Enthalpy of Deprotonation of Polyfunctional Compounds Based on High-Level Density Functional TheoryZaki S. SafiTautomerism and Density Functional TheoryZaki S. SafiIonization Energies of Atoms of 103 Elements of Periodic Table Using Semiemprical and DFT MethodsNazmul Islam, Savas Kaya, and Dulal C. GhoshMolecular Similarity from Manifold Learning on D2-Property ImagesFarnaz Heidar-Zadeh and Paul W. Ayers