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Full-Text Articles in Chemistry
Ab Initio Investigation Of Hydrogen Bonding And Network Structure In A Supercooled Model Of Water, Lei Liang, Paul Rulis, Lizhi Ouyang, Wai-Yim Ching
Ab Initio Investigation Of Hydrogen Bonding And Network Structure In A Supercooled Model Of Water, Lei Liang, Paul Rulis, Lizhi Ouyang, Wai-Yim Ching
Mathematical Sciences Faculty Research
The hydrogen bond (HB) and network structure in a large periodic model of 340 water molecules are investigated by ab initio methods. This model has a density of 1.00 g/cc, very small distortions of O–H bond length and H–O–H bond angle, and the peak positions in the radial distribution functions in close agreement with experiment. The 340 molecules can be classified into four groups according to the number of HBs quantitatively determined by the bond-order values. The percentages of water molecules with two, three, four, and five HBs are, respectively, 3.2%, 10.3%, 85%, and 1.5%, with an average HB number …
Microwave-Induced Indium-Catalyzed Synthesis Of Pyrrole Fused With Indoline In Water, Dina Abrego, Debasish Bandyopadhyay, Bimal K. Banik
Microwave-Induced Indium-Catalyzed Synthesis Of Pyrrole Fused With Indoline In Water, Dina Abrego, Debasish Bandyopadhyay, Bimal K. Banik
Chemistry Faculty Publications and Presentations
An expeditious microwave-induced indium metal-catalyzed synthesis of pyrrole fused with indoline in water is developed by reacting isatin and 4-hydroxyproline.
Phosphoric Acid Catalyzed Aza-Michael Reaction In Water: An Ecofriendly Procedure, Debasish Bandyopadhyay, Stephanie Maldonado, Bimal K. Banik
Phosphoric Acid Catalyzed Aza-Michael Reaction In Water: An Ecofriendly Procedure, Debasish Bandyopadhyay, Stephanie Maldonado, Bimal K. Banik
Chemistry Faculty Publications and Presentations
Phosphoric acid catalyzed aza-Michael reaction in water has been carried out in an efficient manner at room temperature. The reaction is general for primary, secondary (cyclic, heterocyclic and acyclic), benzylic as well as aromatic amines. No bis-addition was observed for primary amines.