Metal-Organic Frameworks (MOFs) represent a new class of highly porous materials. On this regard,  two nano porous metal-organic frameworks of [Zn2(1,4-bdc)2(H2O)2∙(DMF)2]n (1) and [Zn2(1,4-bdc)2(dabco)]·4DMF·1⁄2H2O (2), (1,4-bdc = benzene-1,4-dicarboxylate, dabco = 1,4-diaza...

A novel method combining elemental sulfur and selenium was developed, yielding crystalline sulfur-selenium compounds. The compounds were melted, and an organic comonomer added. Once the organic comonomer was consumed, the viscous compound was vitrified and allowed to cool yielding organic-inorganic hybrid polymers that are termed Organically Modified Chalcogenide (ORMOCHALC) polymers.

Biological activity of drugs and other organic compounds is determined by their solubilities in water or any other solvent or solution. Several methodologies to compute the solubilities of organic compounds have been devised, however most of them are bound to aqueous solutions, and many times the methodology works for a limited number of compounds. Furthermore, those methodologies state very li...

Crystallographic data analyses indicate that  three types of prolinium cations, along with two types of hydrogen  bonding,  produce and stabilize the helical structure of  triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in g...

Crystallographic data analyses indicate that  three types of prolinium cations, along with two types of hydrogen  bonding,  produce and stabilize the helical structure of  triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in g...

a quantum chemical study of the corrosion inhibition properties of some organic inhibitormolecules, pyridine, 2-picoline, 3-picoline, 4-picoline, 2, 4-lutidine at the aluminum surface inhydrochloric acid (hcl) was carried out. the models of the inhibitors adsorption on the al-surfacewere optimized with the hf and b3lyp level using the 6-31g and lanl2dz basis sets fromthe program package gaussia...