A new weak-field coupling scheme for cubic complexes

1980 ◽  
Vol 54 (4) ◽  
pp. 315-321
Author(s):  
Jayarama R. Perumareddi ◽  
John A. Collins
Keyword(s):  
Weak Field ◽  
Coupling Scheme ◽  
Field Coupling

scholarly journals The limit y of the incident particle under the superradiance of Kerr black hole

2021 ◽  
Author(s):  
Wen-Xiang Chen
Keyword(s):  
Black Hole ◽  
Scalar Field ◽  
Kerr Black Hole ◽  
Weak Field ◽  
Incident Particle ◽  
Field Coupling ◽  
Field System ◽  
Field Behavior

It is important to emphasize that as the reference has proved well, the critical storage line of black hole field system is universal, that is, different scalar field coupling functions with the same weak field behavior are $\{C(\phi) \} , C (\phi) =1+\alpha\phi ^{2} + o(\phi ^{4})$, and have the same function behavior $\alpha=\alpha (\mu); a / M) $. The purpose of this paper is to find out the limit $y$ of the incident particle under the superradiance of the preset boundary (${\mu} = {y}{\omega}$).

Coupling Schemes for Cubic Complexes

1985 ◽  
Vol 40 (11) ◽  
pp. 1133-1139
Author(s):  
J. R. Perumareddi
Keyword(s):  
Strong Field ◽  
Weak Field ◽  
Orbit Interaction ◽  
Coupling Scheme ◽  
Spin Orbit ◽  
Spin Orbit Interaction ◽  
J Coupling

In the presence of spin-orbit interaction, six coupling schemes are possible for cubic complexes. Five of these coupling schemes have been worked out although only three, called strong-field, weak-field and (j, j) coupling schemes, are well-known. We show the derivation of the sixth coupling scheme and review briefly the significance and utility of the six coupling schemes.

Weak-Field Coupling

Ligand Field ◽  
1977 ◽  
pp. 25-28
Author(s):  
E. König ◽  
S. Kremer
Keyword(s):  
Weak Field ◽  
Field Coupling

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

2019 ◽  
Author(s):  
Asmus Ougaard Dohn ◽  
Elvar Jónsson ◽  
Hannes Jonsson
Keyword(s):  
Density Functional Theory ◽  
Liquid Water ◽  
Density Functional ◽  
Water Clusters ◽  
Theory Model ◽  
Coupling Scheme ◽  
Functional Theory ◽  
Total Polarization ◽  
Electrostatic Embedding ◽  
Polarizable Embedding

The manuscript analyzes the accuracy of our recently developed reciprocal polarizable embedding scheme, where a density functional theory model of the QM region is coupled to a dipole- and quadrupole polarizable water potential of the MM region. We present calculations of water clusters and liquid water where we analyze the energy, atomic forces and total polarization to demonstrate that artifacts in energy and polarization introduced by the QM/MM coupling are small and well-behaved. Furthermore, our methodology improves the consistency of the structure of optimized water hexamer geometries when compared to results obtained with models that neglect polarization. Additionally, the manuscript provides evidence that our coupling scheme eliminates artifacts in the structure of liquid water obtained with simpler electrostatic embedding models.

SKETCH-N/ATHLET steady-state and dynamic coupling scheme verification on Kalinin-3 benchmark results

Kerntechnik ◽  
2020 ◽  
Vol 85 (4) ◽  
pp. 265-273 ◽  
Author(s):  
V. I. Romanenko ◽  
V. G. Zimin ◽  
S. P. Nikonov ◽  
G. V. Tikhomirov ◽  
Y. Perin ◽  
...  
Keyword(s):  
Steady State ◽  
Coupling Scheme ◽  
Dynamic Coupling

Convenient Synthesis of (Z)-7- and (E)-9-dodecene-1-yl Acetate, Components of Some Lepidoptera Insect Sex Pheromone

2017 ◽  
Vol 68 (1) ◽  
pp. 180-185
Author(s):  
Adriana Maria Andreica ◽  
Lucia Gansca ◽  
Irina Ciotlaus ◽  
Ioan Oprean
Keyword(s):  
Sex Pheromone ◽  
Coupling Reaction ◽  
Coupling Scheme ◽  
Lithium Aluminium Hydride ◽  
Terminal Alkyne ◽  
Mercury Derivative ◽  
Lithium Aluminium ◽  
Convenient Synthesis ◽  
Practical Synthesis ◽  
Insect Sex

Were developed new and practical synthesis of (Z)-7-dodecene-1-yl acetate and (E)-9-dodecene-1-yl acetate. The routes involve, as the key step, the use of the mercury derivative of the terminal-alkyne w-functionalised as intermediate. The synthesis of (Z)-7-dodecene-1-yl acetate was based on a C6+C2=C8 and C8+C4=C12 coupling scheme, starting from 1,6-hexane-diol. The first coupling reaction took place between 1-tert-butoxy-6-bromo-hexane and lithium acetylide-ethylendiamine complex obtaining 1-tert-butoxy-oct-7-yne, which is transformed in di[tert-butoxy-oct-7-yne]mercury. The mercury derivative was directly lithiated and then alkylated with 1-bromobutane obtaining 1-tert-butoxy-dodec-7-yne. After acetylation and reduction with lithium aluminium hydride of 7-dodecyne-1-yl acetate gave (Z)-7-dodecene-1-yl acetate with 96 % purity. The synthesis of (E)-9-dodecene-1-yl acetate was based on a C8+C2=C10 and C10+C2=C12 coupling scheme, starting from 1,8-octane-diol. The first coupling reaction took place between 1-tert-butoxy-8-bromo-octane and lithium acetylide-ethylendiamine complex obtaining 1-tert-butoxy-dec-9-yne, which is transformed in di[tert-butoxy-dec-9-yne]mercury. The mercury derivative was directly lithiated and then alkylated with 1-bromoethane obtaining 1-tert-butoxy-dodec-9-yne. After reduction with lithium aluminium hydride of 1-tert-butoxy-(E)-9-dodecene and acetylation was obtained (E)-9-dodecene-1-yl acetate with 97 % purity.

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