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Redefining the atom: atomic charge densities produced by an iterative stockholder approach

, : Redefining the atom: atomic charge densities produced by an iterative stockholder approach. Chemical Communications: 5909-5911

A new, simple, computational technique allows molecular electron densities to be divided into atoms which have intuitively correct shapes and charges.


PMID: 19030535

DOI: 10.1039/b812691g

Other references

Ford, W.P., 1972: Control of field sandbur along roadsides. Cenchrus pauciflorus, an annual, is a major problem in county roadsides which form a primary source of infestation. Desiccant was more efficient than mechanical or total vegetation control. MSMA at 4-5 lb/acre gave 95-96% control in 1970 and is th...

Grey, Dc, 1986: Environmental influences on eccentricity, out-of-roundness and bark thickness in Pinus radiata. Miscellaneous ication University of Maine Agricultural Experiment Station: (691) 57-65

Adjei, M.B.; Frank, J.H.; Gardner, C.S., 2003: Survey of pest mole crickets (Orthoptera: Gryllotalpidae) activity on pasture in south-central Florida. Histories of pest mole cricket activity (Scapteriscus spp. Scudder) (Orthoptera: Gryllotalpidae) on bahiagrass (Paspalum notatum Fluegge) pastures were needed to provide baseline data for evaluating on-going biological control with Steinernema sca...

Figueroa Roa, L.; Linhares, A.X., 2002: Synanthropy of the Calliphoridae (Diptera) from Valdivia, Chile. The objective of this study was to determine synathropic index of adult Calliphoridae (Diptera) collected in the city of Valdivia, Chile (39 degrees 48 S; 73 degrees 15' W). For this, samples were taken monthly between September 1996 and Augu...

Hayes, T.G.; Eglitis, J.A., 1967: The microscopic structure of the adult raccoon (Procyon lotor) and woodchuck (Marmota monax) spleens. Histological serial sections of spleens from the adult raccoon (Procyon lotor) and woodchuck (Marmota monax) were processed for microscopic examination. Observations related to various aspects of the internal vascular pattern in the spleen of the...

Weber, N., 1989: Studies on intestinal absorption, distribution and metabolism of 3 beta-chloro[4-14C]cholest-5-ene and 3 beta-chloro[4-14C]stigmast-5-ene in mice. A method for the analysis of 3 beta-chloro steroids by high-performance liquid chromatography is described. These compounds are known to occur in commercial protein hydrolysates. The gastro-intestinal absorption, distribution and metabolism of chl...

Hyde, T.M.; Bharadwaj, R.A., 2016: Molecular mechanisms and timing of cortical immune activation in schizophrenia. American Journal of Psychiatry 172(11): 1052-1053

Davis, J.S.; Frank, Y.; Raicher, E.; Fraenkel, M.; Keiter, P.A.; Klein, S.R.; Drake, R.P.; Shvarts, D., 2016: Measurements of laser generated soft X-ray emission from irradiated gold foils. NlmCategory="UNASSIGNED">Soft x-ray emission from laser irradiated gold foils was measured at the Omega-60 laser system using the Dante photodiode array. The foils were heated with 2 kJ, 6 ns laser pulses and foil thicknesses were var...

Eberl, M.; Muller, P., 1984: Strength calculation of agricultural machinery by finite element method. Strength under stress was calculated for a level and a curved surface. Several microcomputer (NOVA 820) programs suitable for data analysis were investigated. The method is presented as a design tool for complicated components.

de Boer, M.R.; de Vet, H.C.W.; Terwee, C.B.; Moll, A.C.; Völker-Dieben, H.J.M.; van Rens, G.H.M.B., 2005: Changes to the subscales of two vision-related quality of life questionnaires are proposed. Psychometrically sound questionnaires for the assessment of vision-related quality of life (QOL) are scarce. Therefore, the objective was to further validate two vision-related QOL questionnaires in a Dutch population of visually impaired elderly....