Endohedrally hydrogen doped C58H4 vesicles - a theoretical study

Authors
Turker, L
Citation
L. Turker, Endohedrally hydrogen doped C58H4 vesicles - a theoretical study, INT J HYD E, 26(8), 2001, pp. 843-847
Citations number
15
Categorie Soggetti
Environmental Engineering & Energy
Journal title
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
ISSN journal
03603199 → ACNP
Volume
26
Issue
8
Year of publication
2001
Pages
843 - 847
Database
ISI
SICI code
0360-3199(200108)26:8<843:EHDCV->2.0.ZU;2-C
Abstract
Endohedrally, various numbers (1-5) of hydrogen molecules doped C58H4 nanov esicles are considered for semiempirical molecular orbital treatment at the level of AMI(RHF) method as well as molecular mechanics calculations (MM+) to investigate the possible usage of these, yet nonexistent, structures as hydrogen storage media. (C) 2001 International Association for Hydrogen En ergy. Published by Elsevier Science Ltd. All rights reserved.