AB-INITIO MO STUDY OF CLUSTER REARRANGEMENTS IN PENTAGONAL PYRAMIDAL CLUSTERS - B6H1O BORANE AND [(IRB5H8)(CO)(PH3)(2)] METALLABORANE Article

MEBEL, AM, MOROKUMA, K, MUSAEV, DG. (1994). AB-INITIO MO STUDY OF CLUSTER REARRANGEMENTS IN PENTAGONAL PYRAMIDAL CLUSTERS - B6H1O BORANE AND [(IRB5H8)(CO)(PH3)(2)] METALLABORANE . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(9), 3932-3942. 10.1021/ja00088a032

International Collaboration

keywords

  • ABINITIO
  • COMPLEXES
  • CRYSTAL-STRUCTURE
  • Chemistry
  • Chemistry, Multidisciplinary
  • EFFECTIVE CORE POTENTIALS
  • ISOMERIZATIONS
  • MOLECULAR CALCULATIONS
  • Physical Sciences
  • REACTION-MECHANISMS
  • SKELETAL REARRANGEMENTS
  • SYMMETRY SELECTION-RULES
  • Science & Technology
  • TRANSITION-STATES

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 3932

end page

  • 3942

volume

  • 116

issue

  • 9