Many of the structural elements of importance in materials applications (eg, thin films, barrier
layers, intergranular films in ceramics) are small in volume and amorphous. Although the …

An overview is given of the recent development and use of density functional methods in
nuclear magnetic resonance (NMR) chemical-shift calculations. The available density …

▪ Abstract A critical review is presented of results obtained with different computational
methods (mainly ab initio) on C60, C70, and specific fullerene derivatives, also in …

Endohedral chemical shiftsδ (endo) at the very centers of fullerenes and their derivatives
(right) can to a large extent be related to ring currents localized in the individual pentagons …

ABSTRACT Fullerenes, including C60, C70, and C60+, are widespread in space through
their characteristic infrared vibrational features (C60+ also reveals its presence in the …

Most investigations into fullerene chemistry have focused on C60,[1] not only owing to its
abundance and low cost, but also because of its simple structure. C60 is composed of 60 …

Total synthetic approaches of fullerenes are the holy grail for organic chemistry. So far, the
main attempts have focused on the synthesis of the buckminsterfullerene C60. In contrast …

Structures of molecules in the gas phase, determined experimentally, provide definitive
information about their identity, reactivity and other properties, free from intermolecular …

Optimized geometries and 13C NMR chemical shifts of all the isolated-pentagon-rule (IPR)
isomers of fullerenes C60, C70, C72, C74, C76, and C78, except C76: 2, have been …

Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique
source of information on an important area of chemistry. Divided into sections mainly …