Charge partitioning

Brooker RA, Du Z, Blundy JD, Kelley SP, Allan NL, Wood BJ, Chamorro EM, Wartho J-A, Purton JA (2003) The zero charge partitioning behavior of noble gases during mantle melting. Nature (submitted)... 

CEC modified Silica modified with Cl8, C8, phenyl, SCX,SAXetc. Size, charge, partition, ion-exchange... 

A comparative analysis between different types of charge partition schemes revealed that potential-derived charges had the largest differences from all other sets considered (Wiberg and... 

Scheiner S, Nagle JF (1983) Ab initio molecular orbital estimates of charge partitioning between Bjerrum and ionic defects in ice. J Phys Chem 87 4267 1272... 

If one has an electrostatic repulsion between charged oligomers and equally charged partit s the diffusion rate is given by (Hansen and Ugelstad, 1978)... 

Zero charge partitioning behaviour of noble gases during mantle melting. Nature 473, 738-741. 

In conclusion, we consider that E, D, and r can, for ions of constant charge partitioning into a given crystalline site, be parametrized using the Brice model. Our simulations and the preceding discussion serve to make us very cautious about trying to predict E and r values, however and we... 

D.L. Cooper and N.C.J. Stutchbury, Distributed multipole analysis for charge partitioning by zero-flux surfaces tbe structure of HF complexes, Cbem. Pbys. Lett., 120 (1985) 167-172. 

D. L. Cooper and N. C. J. Stutchbury, Ghent. Phys. Lett., 120, 167 (1985). Distributed Multipole Analysis from Charge Partitioning by Zero-Flux Surfaces The Structure of HF Complexes. 

BHandHLYP density functional theory DFT calculations combined with the 6-31G(d) basis set have been used throughout this paper. The Mulliken charges partitioning scheme was used to quantify the amount of charge transfer between molecules. 

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