Equation-of-motion spin-flip coupled-cluster method with single and double substitutions (EOM-SF-CCSD) is employed to study how substituents affect the electronic states' ordering in meta-xylylene diradicals. The electronegativity of substituents and the incorporation of a heteroatom are found to have a negligible effect. The effect of charges on energy gaps is much more pronounced, in agreemen...

Bond-selective reaction is central to heterogeneous catalysis. In heterogeneous catalysis, selectivity is found to depend on the chemical nature and morphology of the substrate. Here, however, we show a high degree of bond selectivity dependent only on adsorbate bond alignment. The system studied is the electron-induced reaction of meta-diiodobenzene physisorbed on Cu(110). Of the adsorbate's C...

We present a case of a left sided pheochromocytoma, who had normal levels of 24 urinary vanilylmandelic acid and a normal MIBG scan. The diagnosis was confirmed on histopathology of the adrenal gland.

The conformation of the N-H bond in the structure of the title compound (3NPDCA), C(8)H(6)Cl(2)N(2)O(3), is anti to the meta-nitro group, similar to that in the structures of 2-chloro-N-(3-nitro-phen-yl)acetamide (3NPCA) and 2,2,2-trichloro-N-(3-nitro-phen-yl)acetamide (3NPTCA), and the meta-chloro group in 2,2-dichloro-N-(3-chloro-phen-yl)acetamide (3CPDCA). The geometric parameters of 3NPDCA ...

The conformation of the N-H bond in the structure of the title compound, C(14)H(12)ClNO, is anti to the meta-chloro substituent in the aniline ring, while the C=O bond is syn to the ortho-methyl substituent in the benzoyl ring. The conformations of the N-H and C=O bonds are anti to each other, similar to those observed in 2-methyl-N-(3-methyl-phen-yl)benzamide (N3MP2MBA). The -NHC(=O)- group ma...

This review assesses the usefulness of parasites as bioindicators of environmental impact. Relevant studies published in the past decade were compiled; factorial meta-analysis demonstrated significant effects and interactions between parasite levels and the presence and concentration of various pollutants and/or environmental stressors. These effects and interactions were also evident in subset...