Solid azafullerenes and azafullerides

Kosmas Prassides; Fred Wudl; Wanda Andreoni

doi:10.1080/15363839708012232

Fullerene Science and Technology

Paper

01 Jan 1997

Solid azafullerenes and azafullerides

View publication

Abstract

A short overview is presented of the structural properties of azafullerene, (C59N)2 and its intercalated derivative K6C59N, studied by synchrotron X-ray diffraction as a function of both temperature and pressure.

Paper

Alq ₃ : Ab initio calculations of its structural and electronic properties in neutral and charged states

Alessandro Curioni, Mauro Boero, et al.

Chemical Physics Letters

Paper

Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis

Salomon R. Billeter, Alessandro Curioni, et al.

Computational Materials Science

Paper

A possible new highly stable fulleride cluster: Li₁₂C₆₀

Jorge Kohanoff, Wanda Andreoni, et al.

Chemical Physics Letters

Paper

Small semiconductor and metal clusters

Wanda Andreoni, Pietro Ballone

Physica Scripta

View all publications

Abstract

Related

Alq 3 : Ab initio calculations of its structural and electronic properties in neutral and charged states

Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis

A possible new highly stable fulleride cluster: Li12C60

Small semiconductor and metal clusters

Alq ₃ : Ab initio calculations of its structural and electronic properties in neutral and charged states

A possible new highly stable fulleride cluster: Li₁₂C₆₀