Journal of nanoscience and nanotechnology, 1(2), 153-158 (2003-08-14)
Carbon- and boron-oxide-encapsulated iron nanocapsules have been synthesized by arc discharge in methane (CH4) and diborane (B2H6) atmospheres respectively. The characterization and magnetic properties of carbon- and boron-oxide-encapsulated iron nanocapsules [abbreviated as Fe(C) and Fe(B) respectively] were investigated and compared.
Journal of molecular graphics & modelling, 24(2), 111-120 (2005-06-23)
In this article, we describe and apply an algorithm that visualizes atoms and bonds in molecules and van der Waals complexes, based on the topology of the electron density. The theory of quantum chemical topology defines both atoms and bonds
The journal of physical chemistry. A, 109(4), 615-621 (2006-07-13)
In previous works we have shown that certain pi-conjugated organic molecules possess nontotally symmetric vibrations that break the maximum hardness (MHP) and minimum polarizability principles (MPP). We have also derived a set of simple rules to determine a priori without
Physical chemistry chemical physics : PCCP, 13(31), 14026-14032 (2011-06-24)
An ab initio study of an isomer of diborane(4) [B(2)H(4)] has been carried out at MP2/aug-cc-pVTZ to investigate the ground-state properties of this unusual molecule, a derivative of which has been described in the recent literature. The geometric, electronic and
Changes in bronchoalveolar lavage fluid (BALF) and blood were examined to assess the toxic effects of diborane (B2H6, CAS: 19287-45-7) on the lung. Male Wistar rats were exposed to diborane at 20 ppm (intended concentration) for 4 h (phase I
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