Computational formulas for symmetry-forbidden vibronic spectra and their application to n-pi* transition in neat acetone Article

Shiu, YJ, Hayashi, M, Mebel, AM et al. (2001). Computational formulas for symmetry-forbidden vibronic spectra and their application to n-pi* transition in neat acetone . JOURNAL OF CHEMICAL PHYSICS, 115(9), 4080-4094. 10.1063/1.1386918

International Collaboration

keywords

  • AB-INITIO CALCULATIONS
  • ABINITIO CL CALCULATION
  • ABSORPTION
  • Chemistry
  • Chemistry, Physical
  • ELECTRONIC-TRANSITION
  • EXCITED-STATE
  • INTERNAL-CONVERSION
  • POTENTIAL SURFACES
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • RESONANCE RAMAN INTENSITIES
  • Science & Technology
  • TEMPERATURE-DEPENDENCE
  • VIBRATIONAL-EXCITATION

Digital Object Identifier (DOI)

publisher

  • AMER INST PHYSICS

start page

  • 4080

end page

  • 4094

volume

  • 115

issue

  • 9