[Theoretical and Computational Chemistry] Theoretical Aspects of Chemical Reactivity Volume 19 || Chapter 13 Chemical reactivity dynamics in ground and excited electronic states

[Theoretical and Computational Chemistry

[Theoretical and Computational Chemistry] Theoretical Aspects of Chemical Reactivity Volume 19 || Chapter 1 Chemical reactivity and the shape function

✍ Geerlings, P. 📂 Article 📅 2007 🏛 Elsevier 🌐 English ⚖ 327 KB

**Theoretical Aspects of Chemical Reactivity** provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems a

[Theoretical and Computational Chemistry

[Theoretical and Computational Chemistry] Theoretical Aspects of Chemical Reactivity Volume 19 || Chapter 8 The average local ionization energy: concepts and applications

✍ Politzer, Peter 📂 Article 📅 2007 🏛 Elsevier 🌐 English ⚖ 407 KB

**Theoretical Aspects of Chemical Reactivity** provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems a

[Theoretical and Computational Chemistry

[Theoretical and Computational Chemistry] Theoretical Aspects of Chemical Reactivity Volume 19 || Chapter 2 Density functional theory models of reactivity based on an energetic criterion

✍ Cedillo, Andrés 📂 Article 📅 2007 🏛 Elsevier 🌐 English ⚖ 229 KB

**Theoretical Aspects of Chemical Reactivity** provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems a

Dynamics of Chemical Reactivity Indices

Dynamics of Chemical Reactivity Indices for a Many-Electron System in Its Ground and Excited States

✍ Chattaraj, P. K.; Sengupta, S. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 205 KB