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Collect. Czech. Chem. Commun. 2003, 68, 61-74
https://doi.org/10.1135/cccc20030061

Some Approximate Atomic and Molecular Energy Formulas

Peter Politzer*, Abraham F. Jalbout and Ping Jin

Department of Chemistry, University of New Orleans, New Orleans, LA 70148, U.S.A.

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  • Heidar-Zadeh Farnaz, Ayers Paul W., Bultinck Patrick: Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods. J Mol Model 2017, 23. <https://doi.org/10.1007/s00894-017-3514-6>
  • Jalbout Abraham F.: Electrostatic potential–density relationships in molecules. Int J of Quantum Chemistry 2007, 107, 1935. <https://doi.org/10.1002/qua.21314>
  • JALBOUT ABRAHAM F.: THE DETERMINATION OF ENERGY BY AB INITIO METHODS: ESTIMATION OF ERRORS AND SOME IMPROVEMENTS. J. Theor. Comput. Chem. 2007, 06, 269. <https://doi.org/10.1142/S0219633607002940>
  • JALBOUT ABRAHAM F.: ON THE EVALUATION OF THE RIGOROUS ELECTROSTATIC POTENTIAL/ATOMIC ENERGY RELATIONSHIP. J. Theor. Comput. Chem. 2007, 06, 761. <https://doi.org/10.1142/S0219633607003386>
  • Politzer * Peter, Ma Yuguang, Jalbout Abraham F., Murray Jane S.: Atomic energies from electrostatic potentials at nuclei: direct evaluation. Mole Phys 2005, 103, 2105. <https://doi.org/10.1080/00268970500084067>