scholarly journals Interaction between bending vibrations and molecular rotation: a model study

1986 ◽  
Vol 127 (5) ◽  
pp. 492-500 ◽  
Author(s):  
Gregory S. Ezra
Keyword(s):  
Molecular Rotation ◽  
Bending Vibrations ◽  
Model Study

The Intramolecular Hydrogen-Bond in Malonaldehyde as Seen by Infrared Spectroscopy. A Four-Dimensional Model Study

2003 ◽  
Vol 217 (12) ◽  
pp. 1507-1524 ◽  
Author(s):  
Nadja Došlić ◽  
O. Kühn
Keyword(s):  
Potential Energy ◽  
Density Functional ◽  
Three Dimensional ◽  
Deformation Mode ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Bending Vibrations ◽  
Functional Theory ◽  
Model Study ◽  
Intramolecular Hydrogen

AbstractThe infrared spectrum of the O–H–O fragment of malonaldehyde is studied using a four-dimensional model. This comprises the OH stretching and the two OH bending vibrations as well an O–O ring deformation mode under the assumption of overall Cs symmetry. The full anharmonic potential energy and dipole moment surfaces are calculated using density functional theory and the respective vibrational eigenvalue problem is solved by an iterative Lanczos method. Fundamental and combination transitions are discussed for the normal species and the symmetrically deuterated isotopomer. Special emphasis is paid to the OH/OD stretching region which reveals the signatures of strong mode mixing what renders a simple assignment in terms of fundamental transitions difficult. In addition results for hot transitions are presented which show a rather different OH/OD band due to the topology of the potential energy surface. The influence of H atom tunneling on the spectrum is briefly addressed employing an alternative three-dimensional model which takes into account the in-plane H atom motion as well as the O–O distance.

Social Desirability in Personality Inventories

2014 ◽  
Vol 35 (3) ◽  
pp. 144-157 ◽  
Author(s):  
Martin Bäckström ◽  
Fredrik Björklund
Keyword(s):  
Social Desirability ◽  
Big Five ◽  
Work Performance ◽  
Factor Model ◽  
Five Factor Model ◽  
Peer Ratings ◽  
Personality Inventories ◽  
Model Study ◽  
The Difference ◽  
New Variables

The difference between evaluatively loaded and evaluatively neutralized five-factor inventory items was used to create new variables, one for each factor in the five-factor model. Study 1 showed that these variables can be represented in terms of a general evaluative factor which is related to social desirability measures and indicated that the factor may equally well be represented as separate from the Big Five as superordinate to them. Study 2 revealed an evaluative factor in self-ratings and peer ratings of the Big Five, but the evaluative factor in self-reports did not correlate with such a factor in ratings by peers. In Study 3 the evaluative factor contributed above the Big Five in predicting work performance, indicating a substance component. The results are discussed in relation to measurement issues and self-serving biases.

CALCULATION-EXPERIMENTAL METHOD FOR DEFINITION OF LOWEST FREQUENCY IN BENDING VIBRATIONS OF COACH CAR BODY IN VERTICAL PLANE BASED ON IDENTIFICATION OF ITS BENDING STIFFNESS

2020 ◽  
Vol 2020 (9) ◽  
pp. 35-46
Author(s):  
Aleksandr Skachkov ◽  
Viktor Vasilevskiy ◽  
Aleksey Yuhnevskiy
Keyword(s):  
Least Squares Method ◽  
Vertical Plane ◽  
Bending Stiffness ◽  
Dimensional Problem ◽  
Euler Beam ◽  
Bending Vibrations ◽  
Car Body ◽  
Variable Function ◽  
Experimental Values ◽  
Definition Of

The consideration of existing methods for a modal analysis has shown a possibility for the lowest frequency definition of bending vibrations in a coach car body in a vertical plane based on an indirect method reduced to the assessment of the bending stiffness of the one-dimensional model as a Bernoulli-Euler beam with fragment-constant parameters. The assessment mentioned can be obtained by means of the comparison of model deflections (rated) and a prototype (measured experimentally upon a natural body) with the use of the least-squares method that results in the necessity of the solution of the multi-dimensional problem with the reverse coefficient. The introduction of the hypothesis on ratability of real bending stiffness of the prototype and easily calculated geometrical stiffness of a model reduces a multi-dimensional problem incorrect according to Adamar to the simplest search of the extremum of one variable function. The procedure offered for the indirect assessment of bending stiffness was checked through the solution of model problems. The values obtained are offered to use for the assessment of the lowest frequency of bending vibrations with the aid of Ritz and Grammel methods. In case of rigid poles it results in formulae for frequencies into which there are included directly the experimental values of deflections.

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