Numerical Modeling of Intramolecular Transformations of ortho, meta-Substituted Aromatic Nitroso Oxides
نویسندگان
چکیده
منابع مشابه
Acidity of ortho-substituted benzoic acids: an infrared and theoretical study of the intramolecular hydrogen bonds.
The structures of ortho-substituted benzoic acids with substituents bearing hydrogen atoms (OH, NH2, COOH and SO2NH2) were investigated by means of IR spectroscopy and of density functional theory at the B3LYP/6-311 + G(d,p) level. All possible conformations, hydrogen bonds, tautomeric forms and zwitterions were taken into consideration and particular attention was given to intramolecular H-bon...
متن کاملinvestigation of (meta)discourse markers in elt coursebooks
the present study aimed to investigate representation of discourse markers and metadiscourse markers in conversations and readings of general elt coursebook series used in the language centers of iran. to this aim, four elt coursebooks popularly taught in language centers of this country were analyzed based on fung and carter’s (2007) framework regarding discourse markers and hyland’s (2005) fr...
Numerical modeling of economic uncertainty
Representation and modeling of economic uncertainty is addressed by different modeling methods, namely stochastic variables and probabilities, interval analysis, and fuzzy numbers, in particular triple estimates. Fo-cusing on discounted cash flow analysis numerical results are presented, comparisons are made between alter-native modeling methods, and characteristics of the methods are discussed.
متن کاملCrystal structures of three ortho-substituted N-acylhydrazone derivatives
To explore the effect of the nature of substitutions on the structural parameters and hydrogen-bond inter-actions in N-acyl-hydrazone derivatives, the crystal structures of three ortho-substituted N-acyl-hydrazone derivatives, namely (E)-N-{2-[2-(2-chloro-benzyl-idene)hydrazin-yl]-2-oxoeth-yl}-4-methyl-benzene-sulfon-amide, C16H16ClN3O3S (I), (E)-N-{2-[2-(2-methyl-benzyl-idene)hydrazin-yl]-2-ox...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2018
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/1096/1/012069