User profiles for P. MacDougall
Preston MacDougallProfessor of Chemistry, Middle Tennessee State University Verified email at mtsu.edu Cited by 2845 |
Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity
RFW Bader, PJ MacDougall… - Journal of the american …, 1984 - ACS Publications
Conclusions We have shown that semiempirical quantum chemical tech-niques predict the
dependence of tunneling matrix element on distance and linker geometry. The localized …
dependence of tunneling matrix element on distance and linker geometry. The localized …
A physical basis for the VSEPR model of molecular geometry
…, RJ Gillespie, PJ MacDougall - Journal of the American …, 1988 - ACS Publications
The Laplacian of the electronic charge distribution demonstrates the presence of local
concentrations of charge in the valence shell of an atom in a molecule. These local maxima …
concentrations of charge in the valence shell of an atom in a molecule. These local maxima …
Toward a theory of chemical reactivity based on the charge density
RFW Bader, PJ MacDougall - Journal of the American Chemical …, 1985 - ACS Publications
… The Laplacian of p at a point r provides a measure of the difference between the average
value of p at points neighboring r and its value at r. When V2p(r) < 0, p{r) is greater than its …
value of p at points neighboring r and its value at r. When V2p(r) < 0, p{r) is greater than its …
Properties of atoms in molecules: Dipole moments and transferability of properties
…, C Gatti, MT Carroll, PJ MacDougall… - The Journal of …, 1987 - pubs.aip.org
This paper uses the theory of atoms in molecules to investigate the origin of molecular dipole
moments. The dipole moment is given by a sum over the net charge and first moment of …
moments. The dipole moment is given by a sum over the net charge and first moment of …
On the presence of non-nuclear attractors in the charge distributions of Li and Na clusters
… However, there always exists a function homeomorphic to p, which coincides with p almost
everywhere, and for which the nuclear positions are (3, - 3) critical points or local maxima in …
everywhere, and for which the nuclear positions are (3, - 3) critical points or local maxima in …
Origin of the Gauche Effect in substituted ethanes and ethenes
…, MA Murcko, KE Laidig, PJ MacDougall - Journal of Physical …, 1990 - ACS Publications
… , the X’s are the second derivatives of p with respect to the coordinate directions (e/au5), and
e … The data are based on 6311 ++G(d,p)//6-31 G(d,p) wave functions for the difluoroethanes …
e … The data are based on 6311 ++G(d,p)//6-31 G(d,p) wave functions for the difluoroethanes …
Liposomal Gd-DTPA: preparation and characterization of relaxivity.
C Tilcock, E Unger, P Cullis, P MacDougall - Radiology, 1989 - pubs.rsna.org
Gadolinium diethylenetriaminepentaacetic acid (DTPA) has not proved particularly useful for
hepatosplenic magnetic resonance imaging. However, by entrapping the Gd-DTPA within …
hepatosplenic magnetic resonance imaging. However, by entrapping the Gd-DTPA within …
Dynamic pricing by scalable energy management systems—Field experiences and simulation results using PowerMatcher
K Kok, B Roossien, P MacDougall… - 2012 IEEE Power …, 2012 - ieeexplore.ieee.org
Response of demand, distributed generation and electricity storage (eg vehicle to grid) will
be crucial for power systems management in the future smart electricity grid. In this paper, we …
be crucial for power systems management in the future smart electricity grid. In this paper, we …
Description of homoaromaticity in terms of electron distributions
…, TT Nguyen Dang, PJ MacDougall - Journal of the …, 1983 - ACS Publications
… The values of p at the bond and ring critical points differ by only 0.007 Á"3. As … of p at the
bond critical points is relatively large (6.26 Á"5) and equal to the other positive curvature of p in …
bond critical points is relatively large (6.26 Á"5) and equal to the other positive curvature of p in …
Overview of four prescription monitoring/review programs in Canada
AD Furlan, P MacDougall, D Pellerin, K Shaw… - Pain Research and …, 2014 - hindawi.com
BACKGROUND: Prescription monitoring or review programs collect information about
prescription and dispensing of controlled substances for the purposes of monitoring, analysis and …
prescription and dispensing of controlled substances for the purposes of monitoring, analysis and …