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Second-order Perturbation Theory with Complete and Restricted Active Space Reference Functions Applied to Oligomeric Unsaturated Hydrocarbon

Electronic Structure - Modeling Properties

Publication Details

  • Authors: A. Rehaman Moughal Shahi, C.J. Cramer, and L. Gagliardi
  • Publication Number: 107
  • Year: 2009
  • Journal: Phys. Chem. Chem. Phys.
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Full Citation

A. Rehaman Moughal Shahi, C.J. Cramer, and L. Gagliardi, Second-order Perturbation Theory with Complete and Restricted Active Space Reference Functions Applied to Oligomeric Unsaturated Hydrocarbon, Phys. Chem. Chem. Phys., 2009, 11, 10964–10972. DOI: 10.1039/B912607D