Accurate, yet simple and efficient, formulae are presented for calculation of the electrostatic potential (ESP), electric field (EF) and electric field gradient (EFG) from the aspherical Hansen-Coppens pseudoatom model of electron density [Hansen & Coppens (1978). Acta Cryst. A34, 909-921]. They are based on the expansion of |r' - r|(-1) in spherical harmonics and the incomplete gamma function ...

this article explain unsuccessful iranian intellectuals' attempts in the fields of thoughts and politics through surveying ideas of ehsan tabari and jalal ale-ahmad. it tries to show that theirs ideas have been under hegemony of political formalism; so their naïve attitudes has converted their thought to an ideology which serve to political aims based on a political formalism. this article...

In rare or undiagnosed diseases, physicians rely upon genotype and phenotype information in order to compare abnormalities to other known cases and to inform diagnoses. Patients are often the best sources of information about their symptoms and phenotypes. The Human Phenotype Ontology (HPO) contains over 12,000 terms describing abnormal human phenotypes. However, the labels and synonyms in the ...

MoleCoolQt is a molecule viewer for charge-density research. Features include the visualization of local atomic coordinate systems in multipole refinements based on the Hansen and Coppens formalism as implemented, for example, in the XD suite. Residual peaks and holes from XDfft are translated so that they appear close to the nearest atom of the asymmetric unit. Critical points from a topologic...

THE FEATURE THAT DIFFERENTIATES HOMINIDS from other primates is not large brain size, but the set of characters associated with erect bipedal posture and a striding ait. Long before the rapid increase in relative brain size that took place during the Pleistocene, early australopithecines possessed the postcranial morphology of an erect, striding biped (Lovejoy, Heiple, and Burstein 1973). Evide...

Introducing broad pores could decrease diffusion limitations in zeolite catalysis – but what is the optimal structure? In article number 2001409 by Marc-Olivier Coppens, Guanghua Ye, and co-workers, a systematic, design methodology discussed. It borrows lessons from nature to guide hierarchically structured synthesis, aided multiscale modelling. Design rules of thumb are derived illustrated. Co...