Molecular parameters of diatomic molecules: A programmable calculator program

1981 ◽  
Vol 58 (8) ◽  
pp. 610
Author(s):  
Jose Miguel Gallego Garcia
Keyword(s):  
Diatomic Molecules ◽  
Programmable Calculator ◽  
Molecular Parameters

Density functionals and chemical bond, diatomic molecules

1989 ◽  
Vol 86 ◽  
pp. 853-859 ◽  
Author(s):  
Federico Moscardó ◽  
José Pérez-Jordá ◽  
Emilio San-Fabián
Keyword(s):  
Chemical Bond ◽  
Diatomic Molecules ◽  
Density Functionals

Role of the Structural Characteristics of Dendrimers in the Manifestation of the Antiamyloid Properties

INEOS OPEN ◽  
2020 ◽  
Vol 3 ◽  
Author(s):  
S. A. Sorokina ◽  
◽  
Yu. Yu. Stroilova ◽  
V. I. Muronets ◽  
Z. B. Shifrina ◽  
...  
Keyword(s):  
Neurodegenerative Diseases ◽  
Structural Characteristics ◽  
Short Review ◽  
External Factors ◽  
Amyloid Aggregation ◽  
Amyloid Proteins ◽  
Molecular Parameters ◽  
Amyloid Aggregates ◽  
Aggregation Processes

Among the compounds able to efficiently inhibit the amyloid aggregation of proteins and decompose the amyloid aggregates that cause neurodegenerative diseases, of particular interest are dendrimers, which represent individual macromolecules with the hypercrosslinked architectures and given molecular parameters. This short review outlines the peculiarities of the antiamyloid activity of dendrimers and discusses the effect of dendrimer structures and external factors on their antiamyloid properties. The potential of application of dendrimers in further investigations on the aggregation processes of amyloid proteins as the compounds that exhibit the remarkable antiamyloid activity is evaluated.

THE ENERGIES AND MOLECULAR PARAMETERS INVOLVED IN THE REACTION OF CH + 1,3-BUTADIENE

2020 ◽  
Author(s):  
A. NIKOLAYEV ◽  
◽  
A. M. Mebel ◽  
V. N. Azyazov ◽  
◽  
...  
Keyword(s):  
Environmental Pollution ◽  
Combustion Products ◽  
Fuel Combustion ◽  
Molecular Parameters ◽  
Earth’S Atmosphere ◽  
Earth's Atmosphere ◽  
Reduce Emissions

This research is devoted to the problem of environmental pollution. The study of various pathways that reduce emissions of fuel combustion products into the Earth's atmosphere is still applicable today.

Vibrationally Enhanced Dissociation of Diatomic Molecules.

1985 ◽  
Author(s):  
B. C. Garrett ◽  
L. T. Redmon ◽  
M. J. Redmon
Keyword(s):  
Diatomic Molecules

Ground state molecular parameters of phosphine, PH3, from the simultaneous analysis of the high-resolution infrared, microwave and submillimeterwave spectra

1985 ◽  
Vol 50 (11) ◽  
pp. 2480-2492 ◽  
Author(s):  
Soňa Přádná ◽  
Dušan Papoušek ◽  
Jyrki Kauppinen ◽  
Sergei P. Belov ◽  
Andrei F. Krupnov ◽  
...  
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Ground State ◽  
Unitary Transformation ◽  
Point Of View ◽  
Acoustic Detection ◽  
Molecular Parameters ◽  
Microwave Spectrometer ◽  
Fourier Transform Spectra ◽  
First Time

Fourier transform spectra of the ν2 band of PH3 have been remeasured with 0.0045 cm-1 resolution. Ground state combination differences from these data have been fitted simultaneously with the microwave and submillimeterwave data to determine the ground state spectroscopical parameters of PH3 including the parameters of the Δk = ± 3n interactions. The correlation between the latter parameters has been discussed from the point of view of the existence of two equivalent effective rotational operators which are related by a unitary transformation. The ΔJ = 0, +1, ΔK = 0 (A1 ↔ A2, E ↔ E) rotational transitions in the ν2 and ν4 states have been measured for the first time by using a microwave spectrometer and a radiofrequency spectrometer with acoustic detection.

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