Endohedrally hydrogen doped C58H4 vesicles - a theoretical study

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Turker L.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, vol.26, no.8, pp.843-847, 2001 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 26 Issue: 8
• Publication Date: 2001
• Doi Number: 10.1016/s0360-3199(01)00017-9
• Journal Name: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.843-847
• Middle East Technical University Affiliated: No

Abstract

Endohedrally, various numbers (1-5) of hydrogen molecules doped C58H4 nanovesicles 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 Energy. Published by Elsevier Science Ltd. All rights reserved.