Mixed Quantum-Classical Study of Nonadiabatic Curve Crossing in Condensed Phases

2016 ◽  
Vol 120 (19) ◽  
pp. 3225-3232 ◽  
Author(s):  
Weiwei Xie ◽  
Meng Xu ◽  
Shuming Bai ◽  
Qiang Shi
Keyword(s):  
Condensed Phases ◽  
Classical Study ◽  
Curve Crossing

Stochastic dynamic models of curve crossing phenomena in condensed phases

1987 ◽  
Vol 86 (7) ◽  
pp. 3836-3844 ◽  
Author(s):  
Raymond E. Cline ◽  
Peter G. Wolynes
Keyword(s):  
Dynamic Models ◽  
Stochastic Dynamic ◽  
Condensed Phases ◽  
Curve Crossing

Structural and Spectroscopic Study of Langmuir-Schäfer Films of Bis Zn-Ethane-Bridged Porphyrins Dimer

2003 ◽  
Vol 771 ◽  
Author(s):  
G. Panzera ◽  
S. Conoci ◽  
S. Coffa ◽  
B. Pignataro ◽  
S. Sortino ◽  
...  
Keyword(s):  
Surface Pressure ◽  
Scanning Force Microscopy ◽  
Structural Features ◽  
Solid Surfaces ◽  
Condensed Phases ◽  
Brewster Angle Microscopy ◽  
Force Microscopy ◽  
Vis Spectroscopy ◽  
Scanning Force ◽  
Supramolecular Aggregates

AbstractThin films (1-24 layers) of bis-zinc ethane-bridged porphyrin dimer (1) have been transferred on solid surfaces, by the Langmuir- Schäfer (LS) horizontal method. The related surface pressurearea isotherm curve shows that in dependence of the film pressure different condensed phases may occur in the monolayer. The inspection of the monolayer by Brewster Angle Microscopy (BAM) reveals the presence of peculiar networks whose structural features seemingly change upon film compression. On the other hand, the Scanning Force Microscopy (SFM) analysis performed on LS films shows fractal networks constituted by nanoscopic supramolecular aggregates, whose shape and size depend again on the LS deposition surface pressure. Finally, also UV-vis spectroscopy measurements indicates that the absorption is almost linearly related to the film thickness that is directly connected to the surface pressure.

Correlation of Phraseological Semantic Fields in Russian Study of Aphorisms

2020 ◽  
pp. 60-71
Author(s):  
Anshelika Korolkova
Keyword(s):  
Negative Correlation ◽  
Semantic Field ◽  
Positive Correlation ◽  
Classical Study ◽  
Semantic Fields ◽  
Zero Correlation ◽  
Russian Study

The article deals with the interconnection and interdependence of phraseological semantic fields of Russian study of aphorisms in synchronic and in diachronic approaches. The correlation of phraseological semantic fields of Russian study of aphorisms is considered as their interdependence due to various factors (linguistic and extra-linguistic ones). The correlation of the phraseological semantic fields of Russian study of aphorisms is manifested in the existence of many antinomies. The natural linguistic antinomies of life / death / immortality or war / peace, or good / evil, or friend / enemy, or villainy / nobility are reflected in Russian aphorisms and have entered the corresponding phraseological semantic fields. The corpus of Russian study of aphorisms containsnot only antinomic aphorisms, but also antinomic relations that extend to the level of language and speech. Therefore, in Russian study of aphorisms there are phraseological semantic fields that implement these antinomies. In addition to the antinomic phraseological semantic fields in the corpus of classical Russian study of aphorisms there are other types of correlations. The keywords (concepts) of many phraseological semantic fields are closely thematically connected. When the number of units from one field is changed, the number of units in another phraseological semantic field also changes. Most phraseological semantic fields of Russian study of aphorisms do not show a zero correlation in either synchronic or diachronic approaches. This is due to, first of all, the universality of the aphoristic theme, with all the ideological and thematic uniqueness of the sayings used by Russian writers. However, a few phraseological and semantic fields of aphorisms by Russian writers may show a negative correlation, which is due to the diversity of the thematic groups that comprise them. A positive correlation of phraseological semantic fields, the most significant in the number of their constituent components, shows deep internal linguistic systemic connections in Russian classical study of aphorisms.

scholarly journals On the Many-Body Expansion of an Interaction Energy of Some Supramolecular Halogen-Containing Capsules

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4431
Author(s):  
Jiří Czernek ◽  
Jiří Brus
Keyword(s):  
Density Functional ◽  
Condensed Phases ◽  
Multicomponent Mixtures ◽  
Many Body ◽  
Symmetric Form ◽  
Functional Theory ◽  
Emergent Features ◽  
The Many ◽  
Surprising Fact ◽  
Dimethyl Benzene

A tetramer model was investigated of a remarkably stable iodine-containing supramolecular capsule that was most recently characterized by other authors, who described emergent features of the capsule’s formation. In an attempt to address the surprising fact that no strong pair-wise interactions between any of the respective components were experimentally detected in condensed phases, the DFT (density-functional theory) computational model was used to decompose the total stabilization energy as a sum of two-, three- and four-body contributions. This model considers complexes formed between either iodine or bromine and the crucial D4h-symmetric form of octaaryl macrocyclic compound cyclo[8](1,3-(4,6-dimethyl)benzene that is surrounded by arenes of a suitable size, namely, either corannulene or coronene. A significant enthalpic gain associated with the formation of investigated tetramers was revealed. Furthermore, it is shown that the total stabilization of these complexes is dominated by binary interactions. Based on these findings, comments are made regarding the experimentally observed behavior of related multicomponent mixtures.

Macroscopic and Microscopic Structural Analyses of Needle-Shaped Condensed Phases in Magnetic Fluids under External Magnetic Fields

2020 ◽  
Author(s):  
Hiroaki Mamiya ◽  
Hironori Sudo ◽  
Jhon L. Cuya Huaman ◽  
Kazumasa Suzuki ◽  
Hiroshi Miyamura ◽  
...  
Keyword(s):  
Magnetic Fields ◽  
Magnetic Fluids ◽  
Condensed Phases
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