[Theoretical and Computational Chemistry] Theoretical Organic Chemistry Volume 5 || A hardness and softness theory of bond energies and chemical reactivity

[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 13 Chemical reactivity dynamics in ground and excited electronic states

✍ Chattaraj, P.K. 📂 Article 📅 2007 🏛 Elsevier 🌐 English ⚖ 604 KB

[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

[Theoretical and Computational Chemistry

[Theoretical and Computational Chemistry] Pauling's Legacy - Modem Modelling of the Chemical Bond Volume 6 || Theoretical treatise on molecular structure and geometry

✍ Cioslowski, Jerzy 📂 Article 📅 1999 🏛 Elsevier 🌐 English ⚖ 875 KB

Theory and experiment in chemistry today provide a wealth of data, but such data have no meaning unless they are correctly interpreted by sound and transparent physical models. Linus Pauling was a grandmaster in the modelling of molecular properties. Indeed, many of his models have served chemistry

[Reactivity and Structure Concepts in Or

[Reactivity and Structure Concepts in Organic Chemistry] Polyquinane Chemistry Volume 26 || Physical Data for, and Theoretical Analysis of, Polyquinanes

✍ Paquette, Leo A.; Doherty, Annette M. 📂 Article 📅 1987 🏛 Springer Berlin Heidelberg ⚖ 576 KB

[Theoretical and Computational Chemistry

[Theoretical and Computational Chemistry] Modern Density Functional Theory - A Tool for Chemistry Volume 2 || Density functional studies of decomposition processes of energetic molecules

✍ Politzer, Peter 📂 Article 📅 1995 🏛 Elsevier 🌐 English ⚖ 460 KB