Endohedrally hydrogen doped C58H4 vesicles - a theoretical study


Turker L.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, vol.26, no.8, pp.843-847, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 26 Issue: 8
  • Publication Date: 2001
  • Doi Number: 10.1016/s0360-3199(01)00017-9
  • Title of Journal : INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
  • Page Numbers: pp.843-847

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.