Abstract
Starting from the molecular potential we get, by using elementary electrostatics, information about energetically favoured regions for interaction with ions and dipoles around H2O and H2CO. The molecule-dipole interaction is represented by the electric field patterns.
Similar content being viewed by others
References
Scrocco, E., Tomasi, J.: Top. Curr. Chem.42, 95 (1973) and references therein
Petrongolo, C., Preston, H. J. T., Kaufmann, J. J.: Int. J. Quant. Chem.13, 457 (1978)
Berthod, H., Pullman, A.: Chem. Phys. Letters32, 233 (1975)
Pullman, A.: Colloques internatiaux du C.N.R.S. No. 256, p. 103, Menton 1976
Pullman, B., Goldblum, A., Berthod, H.: Biochem. Biophys. Res. Comm.77, 1166 (1977)
Goldblum, A., Pullman, B.: Theoret. Chim. Acta (Berl.)47, 345 (1978)
Giessner-Prettre, C., Pullman, A.: Theoret. Chim. Acta (Berl.)25, 83 (1972)
Giessner-Prettre, C., Pullman, A.: Theoret. Chim. Acta (Berl.)33, 91 (1974)
Giessner-Prettre, C., Pullman, A.: Theoret. Chim. Acta (Berl.)37, 335 (1975)
Caballol, R., Gallifa, R., Martin, M., Carbo, R.: Chem. Phys. Letters25, 89 (1974)
Allen, L. C.: J. Am. Chem. Soc.97, 6921 (1975)
Kollman, P. A.: J. Am. Chem. Soc.100, 2974 (1978)
Δ = div grad; ▽ = grad
Margenau, H., Kestner, N. R.: Theory of intermolecular forces. Oxford: Pergamon Press; 1969
Stuart, R. F.: J. Chem. Phys.50, 2485 (1969)
Schuster, P., Marius, W., Pullman, A., Berthod, H.: Theoret. Chim. Acta (Berl.)40, 323 (1975)
Schuster, P., Jakubetz, W., Marius, W.: Top. Curr. Chem.60, 1 (1975)
Pullman, A., in: Metal-ligand interactions in organic chemistry and biochemistry, part 1, p. 1, (B. Pullman, N. Goldblum, eds.) Dordrecht: D. Reidel 1977
Kollman, P. A., Allen, L. C.: Theoret. Chim. Acta (Berl.)19, 20 (1970)
Morokuma, K.: J. Chem. Phys.55, 1236 (1971)
Schuster, P., in: Intermolecular interactions: From diatomics to biopolymers, p. 363 (B. Pullman, ed.) New York: J. Wiley 1978
Ranghino, G., Clementi, E.: Gazz. Chim. Ital.108, 157 (1978)
Schuster, P., in The hydrogen bond, p. 25. (P. Schuster, G. Zundel, C. Sandorfy, eds.), Amsterdam: North Holland 1976
Kistenmacher, H., Lie, G. C., Popkie, H., Clementi, E. J. Chem. Phys.61, 546 (1974)
DelBene, J. E. J. Chem. Phys.55, 4633 (1971)
Petrongolo, C., Popkie, H. E., Preston, H. J. T., Kaufmann, J. J.: Int. J. Quant. Chem. (in press)
DelBene, J. E.: J. Chem. Phys.58, 3139 (1973)
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Peinel, G., Frischleder, H. & Birnstock, F. The electrostatical molecular potential — A tool for the prediction of electrostatic molecular interaction properties. Theoret. Chim. Acta 57, 245–253 (1980). https://doi.org/10.1007/BF00554105
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00554105