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#1 2018-12-07 08:10:22

maziar
Member
Registered: 2018-08-22
Posts: 7

Physical relevance of ESP variances and charge balance

Hi,

On the page 315 of the following paper, it is stated, without any citation, that a large ESP variance and a charge balance close to 0.25 is indicative of the molecule being able to interact with other molecules through its positive or negative ESP regions:

T. Lu, F. Chen / Journal of Molecular Graphics and Modelling 38 (2012) 314–323

I was wondering what is the physics behind these statements and wether there are any reference papers that could explain or support these statements?

I would greatly appreciate any comments on this.

Thanks,

Maziar

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