In the present work, the quantum theoretical calculations of the molecular structure of the compound 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate have been predicted using Density Functional Theory (DFT) in the gas phase. The geometry of the title structure was optimized by B3LYP/6-31+G* and HF/6-31+G* levels of theory. The theoretical 1H and 13C NMR chemical shift values o...

Action-theoretical models and research provide a new framework for analyzing questions of human development across the life span (Brandtstädter, 1998). Action theories as introduced by psychologists of motivation, social psychologists, and personaliry psychologists (for summaries, see Gollwitzer & Bargh, 1996; Locke & Latham, 1990; Pervin, 1989) focus on how people's goals guide their actions. ...

The human practice of promising has fascinated or disturbed a wide range of philosophers. For Hume (1739, III.ii), promising was one of the crucial test cases for his theory of artificial virtues; Nietzsche (1886) went so far as to characterise man as the animal capable of promising. Explaining the moral force of promises has been and remained an important and difficult problem for moral philos...

in the present work, the quantum theoretical calculations of the molecular structure of the 1-(1, 3-benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea has been predicted and are evaluated using density functional theory (dft) in gas phase. the geometry of the title compound was optimized by b3lyp/6-311+g and b3lyp/6-311+g* methods and the experimental geometrical parameters of the title compo...

An assessment of within field spatial variations in grain yield and methane (CH4) emission was conducted in lowland rice fields of Myanmar. Two successive rice fields (1(st) field and 2(nd) field) were divided into fertilized and non-fertilized parts and CH4 measurements were conducted at the inlet, middle and outlet positions of each field. The results showed that CH4 emissions at non-fertiliz...