Molecular electrostatic potential surfaces

Murray, J. S., T. Brinck, and P. Politzer. 1996. Relationships of Molecular Surface Electrostatic Potentials to Some Macroscopic Properties. Chem. Phys. 204, 289. [Pg.80]

Donating Parameter a and the Calculated Molecular Surface Electrostatic Potential. J. Org. Chem. 56, 6715. [Pg.81]

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

Statistical Characterization of the Molecular Surface Electrostatic Potential 249... [Pg.249]

Murray, J. S., et al., Statistically-Based Interaction Indices Derived from Molecular Surface Electrostatic Potentials A General Interaction Properties Function (GIPF). J. Mol. Struct. (Theochem.), 1994 307, 55—64. [Pg.24]

J.S. Murray et al., Molecular surface electrostatic potentials in the analysis of non-hydrogen-bonding noncovalent interactions. Proc. Indian Acad. Sci. 106, 267-275 (1994)... [Pg.161]

J.S. Murray, P. Politzer, Statistical analysis of the molecular surface electrostatic potential An approach to describing noncovalent interactions in condensed phases. J. Mol. Struct. (Theo-chem) 425, 107-114 (1998)... [Pg.164]

P. Politzer, J.S. Murray, Computational prediction of condensed phase properties from statistical characterization of molecular surface electrostatic potentials. Fluid Phase Equil. 185, 129-137 (2001)... [Pg.164]

Politzer P, Murray JS (1999) Representation of condensed phase properties in terms of molecular surface electrostatic potentials. Trends Chem. Phys. 7 157... [Pg.502]

Politzer P, Murray JS, Concha MC (2002) The complementary roles of molecular surface electrostatic potentials and average local ionization energies with respect to electrophilic processes. Int. J. Quantum Chem. 88 19—27... [Pg.502]

Brinck T, Murray JS, Politzer P (1993) Molecular surface electrostatic potentials and local ionization energies of groups V-VII hydrides and their anions. Relationships for aqueous and gas phase acidities. Int. J. Quantum Chem. 48 73-88... [Pg.503]

RELATIONSHIPS BETWEEN IMPACT SENSITIVITIES AND MOLECULAR SURFACE ELECTROSTATIC POTENTIALS... [Pg.351]

Aqueous Solvation Free Energies from Properties of Solute Molecular Surface Electrostatic Potentials. [Pg.255]

Murray, J. S. and Politzer, P., Correlation betwen the solvent hydrogen-bond-donating parameter a and the calculated molecular surface electrostatic potential, J. Org. Chem. 56,6715-6717 (1991). [Pg.46]

Murray, J.S. and Politzer, P. (1991). Correlations Between the Solvent Hydrogen-Bond-Donating Parameter a and the Calculated Molecular Surface Electrostatic Potential. J.Org.Chem., 56, 6715-6717. [Pg.621]

Murray, J.S., Gagarin, S.G. and Politzer, P. (1995). Representation of Ceo Solubilities in Terms of Computed Molecular Surface Electrostatic Potentials and Areas. J.Phys.Chem., 99, 12081-12083. [Pg.621]

Murray, J.S., Lane, R and Politzer, P. (1998). Effects of Strongly Electron-Attracting Components on Molecular Surface Electrostatic Potentials Application to Predicting Impact Sensitivities of Energetic Molecules. Mol.Phys., 93,187-194. [Pg.621]

Murray, JS., Abu-Awwad, F. and Politzer, P. (1999). Prediction of Aqueous Solvation Free Energies from Properties of Solute Molecular Surface Electrostatic Potentials. Journal of Physical Chemistry A, 103,1853-1856. [Pg.621]

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]

Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...