O–H.π(arene) intermolecular hydrogen bonding in the structure of 1,1,2-triphenylethanol

Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid

the role of thematic structure in comprehending spoken language

in fact this study is concerned with the relationship between the variation in thematice structure and the comprehension of spoken language. so the study focused on the following questions: 1. is there any relationship between thematic structure and the comprehension of spoken language? 2. which of the themes would have greated thematic force and be easier for the subjects to comprehend? accord...

the effects of changing roughness on the flow structure in the bends

flow in natural river bends is a complex and turbulent phenomenon which affects the scour and sedimentations and causes an irregular bed topography on the bed. for the reason, the flow hydralics and the parameters which affect the flow to be studied and understand. in this study the effect of bed and wall roughness using the software fluent discussed in a sharp 90-degree flume bend with 40.3cm ...

Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers

This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied i...

Intermetallic Compounds of Element 112: the Electronic Structure and Bonding

The next heaviest element which is to be studied chemically at the JINR, Dubna, [1] and GSI [2] is element 112. Its properties are expected to be unique: high volatility and inertness due to the very strong relativistic stabilization of the 7s electrons and the closed-shell configuration, 7s6d [3]. The surface of the chromatography column in the gas-phase chromatography experiments is to be mad...