General Interaction Properties Function GIPF

In recent years, we have extended the nature of our analysis to include certain statistically defined features of the surface electrostatic potential. Our purpose has been to expand the capabilities of V(r) for quantitatively describing macroscopic properties that reflect non-covalent molecular interactions. This has led to the development of the General Interaction Properties Function (GIPF), described by Eq. (3.7) ... [Pg.71]

Murray, J. S., T. Brinck, P. Lane, K. Paulsen, and P. Politzer. 1994. Statistically-Based Interaction Indices Derived From Molecular Surface Electrostatic Potentials A General Interaction Properties Function (GIPF). J. Mol. Struct. (Theochem) 307, 55. [Pg.80]

Statistical Characterization of the Molecular Surface Electrostatic Potential - the General Interaction Properties Function (GIPF)... [Pg.246]

Conceptually, we view our approach in terms of a general interaction properties function (GIPF) ... [Pg.248]

This is accordingly a unified approach to representing and predicting condensed phase properties that are determined by noncovalent interactions. We summarize it conceptually as a general interaction properties function (GIPF), Eq. (9) ... [Pg.26]

FIGURE 8. General Interaction Properties Function (GIPF)72, with physical interpretations for the respective computed quantities... [Pg.12]

Murray JS, Politzer P (1994) A General Interaction Properties Function (GIPF) An approach to understanding and predicting molecular interactions, In Murray JS, Politzer P (eds) Quantitative Treatments of Solute/Solvent Interactions. Elsevier, Amsterdam, Ch. 8... [Pg.502]

GIPF (Molecular Electrostatic Potential) Politzer and Murray " developed a general interaction property function (GIPF) based on MEP symbolized... [Pg.240]

Murray, J.S., Brinck, T, Lane, P Paulsen, K. and Politzer, P. (1994) Statistically-based interaction indices derived from molecular surface electrostatic potentials a general interaction properties function (GIPF)./. Mol. Struct. (Theochem), 307, 55-64. [Pg.1127]