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Ab initio molecular structure study of alkyl substitute analogues of Alzheimer drug phenserine: structure-activity relationships for acetyl- and butyrylcholinesterase inhibitory action
(ELSEVIER SCIENCE BV, 2005)
Considerable experimental evidence suggests that phenserine and some alkyl analogues show inhibitory action against human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The electronic structure of the newly ...
Ab initio study of atmospheric reactions of the hydroxyl radical-water complex (OH-H2O) with saturated hydrocarbons (methane, ethane and propane)
(ELSEVIER SCIENCE BV, 2005)
Weakly bound reactant and product complexes in the hydrogen abstraction reactions of the hydroxyl radical-water complex (OH-H2O) with CH4, C2H6, and C3H8 were investigated with ab initio molecular orbital methods. Molecular ...