✦ LIBER ✦

Critical thoughts on computing atom condensed Fukui functions

✍ Scribed by Bultinck, Patrick; Fias, Stijn; Van Alsenoy, Christian; Ayers, Paul W.; Carbó-Dorca, Ramon

Book ID: 121736885
Publisher: American Institute of Physics
Year: 2007
Tongue: English
Weight: 363 KB
Volume: 127
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2749518

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On the condensed Fukui function

✍ Fuentealba, P.; Pérez, P.; Contreras, R. 📂 Article 📅 2000 🏛 American Institute of Physics 🌐 English ⚖ 329 KB

On the use of fractional charges for com

On the use of fractional charges for computing Fukui functions

✍ Fitzgerald, George 📂 Article 📅 2008 🏛 Taylor and Francis Group 🌐 English ⚖ 126 KB

Condensed-to-atoms electronic Fukui func

Condensed-to-atoms electronic Fukui functions within the framework of spin-polarized density-functional theory

✍ Chamorro, Eduardo; Pérez, Patricia 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 369 KB

Revisiting the calculation of condensed

Revisiting the calculation of condensed Fukui functions using the quantum theory of atoms in molecules

✍ Otero, Nicolás; Mandado, Marcos; Mosquera, Ricardo A. 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 281 KB

Computing the Fukui function from ab ini

Computing the Fukui function from ab initio quantum chemistry: approaches based on the extended Koopmans’ theorem

✍ Paul W. Ayers; Junia Melin 📂 Article 📅 2006 🏛 Springer 🌐 English ⚖ 230 KB

Atomic Force Microscope Studies on Conde

Atomic Force Microscope Studies on Condensation of Plasmid DNA with Functionalized Fullerenes

✍ Hiroyuki Isobe; Sho Sugiyama; Ken-ichi Fukui; Yasuhiro Iwasawa; Eiichi Nakamura 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 224 KB 👁 2 views

A recent paper reported the first example of the use of a carbon cluster as a vector to deliver DNA into mammalian cells. [1, Thus, mixed with the tailor-made tetraminofullerene 1, a plasmid DNA forms micrometer-sized fullerene ± DNA particles as observed by optical microscope, which, after