Thermochemistry of cyclopentadienylidene (c-C5H4, C2v, 3B1), cyclopentadienyl radical (c-C5H5•, C2v, 2B1) and 1,3-cyclopentadiene (c-C5H6, C2v, 1A1): a theoretical study by the G2M(RCC,MP2) method Article

Nguyen, TL, Le, TN, Mebel, AM. (2001). Thermochemistry of cyclopentadienylidene (c-C5H4, C2v, 3B1), cyclopentadienyl radical (c-C5H5•, C2v, 2B1) and 1,3-cyclopentadiene (c-C5H6, C2v, 1A1): a theoretical study by the G2M(RCC,MP2) method . 14(3), 131-138. 10.1002/poc.345

Open Access International Collaboration

cited authors

  • Nguyen, TL; Le, TN; Mebel, AM

authors

publication date

  • March 1, 2001

keywords

  • 1,3-cyclopentadiene
  • AFFINITIES
  • Chemistry
  • Chemistry, Organic
  • Chemistry, Physical
  • ELECTRONIC-STRUCTURE
  • G2M method
  • GAUSSIAN-1 THEORY
  • HEATS
  • IONIZATION
  • MODEL
  • MOLECULAR-ENERGIES
  • PHOTODETACHMENT
  • Physical Sciences
  • Science & Technology
  • ab initio calculations
  • cyclopentadienyl radical
  • cyclopentadienylidene
  • thermochemistry

Digital Object Identifier (DOI)

publisher

  • WILEY

start page

  • 131

end page

  • 138

volume

  • 14

issue

  • 3