Endohedrally hydrogen doped C58H4 vesicles - a theoretical study


Turker L.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, cilt.26, ss.843-847, 2001 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 26 Konu: 8
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1016/s0360-3199(01)00017-9
  • Dergi Adı: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
  • Sayfa Sayıları: ss.843-847

Özet

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.