✦ LIBER ✦

Visualization of Regional Properties of Hardness and Softness in Molecules

✍ Scribed by Bogel, H.; Hansen, S.; Laube, U.

Book ID: 121395111
Publisher: American Chemical Society
Year: 1997
Tongue: English
Weight: 129 KB
Volume: 37
Category: Article
ISSN: 0095-2338
DOI: 10.1021/ci960100h

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Chemical potential, hardness, hardness a

Chemical potential, hardness, hardness and softness kernel and local hardness in the isomorphic ensemble of density functional theory

✍ De Proft, Frank; Liu, Shubin; Parr, Robert G. 📂 Article 📅 1997 🏛 American Institute of Physics 🌐 English ⚖ 391 KB

Do the Local Softness and Hardness Indic

Do the Local Softness and Hardness Indicate the Softest and Hardest Regions of a Molecule?

✍ Miquel Torrent-Sucarrat; Frank De Proft; Paul Geerlings; Paul W. Ayers 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 300 KB

## Abstract In this work, we will show that the largest values of the local softness and hardness do not necessarily correspond to the softest and hardest regions of the molecule, respectively. Based on our results, we will argue that it is more useful to interpret the local softness and the local

Hardness and softness in the ab initio s

Hardness and softness in the ab initio study of polyatomic systems

✍ Galván, Marcelo; Dal Pino, Arnaldo; Joannopoulos, John D. 📂 Article 📅 1993 🏛 The American Physical Society 🌐 English ⚖ 165 KB

Internal stresses in the model of hard a

Internal stresses in the model of hard and soft regions

✍ F. Dobeš 📂 Article 📅 1988 🏛 Springer 🌐 English ⚖ 162 KB

Visualization of electronic properties o

Visualization of electronic properties of molecules in chemical reactions

✍ Susanna Wei; George R. Famini 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 418 KB

Electronic structure and magnetic proper

Electronic structure and magnetic properties of hard/soft multilayers

✍ R.F. Sabiryanov; S.S. Jaswal 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 168 KB