Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory

Alain St.-Amant, Wendy D. Cornell, Peter A. Kollman, Thomas A. Halgren. Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory. Journal of Computational Chemistry, 16(12):1483-1506, 1995.

@article{StAmantCKH95,
  title = {Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory},
  author = {Alain St.-Amant and Wendy D. Cornell and Peter A. Kollman and Thomas A. Halgren},
  year = {1995},
  researchr = {https://researchr.org/publication/StAmantCKH95},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {16},
  number = {12},
  pages = {1483-1506},
}