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• Ab initio molecular-orbital study of the trichlorine radical, cl-3
  A. L. Kaledin and M. C. Heaven and W. G. Lawrence and Q. Cui and J. E. Stevens and K. Morokuma J. Chem. Phys.108(7):2771--2783(1998)
  to electronic-structure theory system atoms 2nd-order configuration-interaction temperature-dependence perturbation- energy derivatives calculations states 2nd spin bibtex-import by hlwoodcock on Jun 16, 2006, 5:03 AM
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• Molecular properties from combined qm/mm methods. i. analytical second derivative and vibrational calculations
  Q. Cui and M. Karplus J. Chem. Phys.112(3):1133--1149(2000)
  to basis force-field gaussian-type simulations derivatives triosephosphate combined harmonic dynamics water quantum 2nd bibtex-import zero-point isomerase liquid electronic-structure energies normal-modes by hlwoodcock on Jun 16, 2006, 5:03 AM
  BibTeX