Effective pair interaction energy in crystalline argon

1965 ◽  
Vol 40 ◽  
pp. 59 ◽  
Author(s):  
M. L. McGlashan
Keyword(s):  
Interaction Energy ◽  
Pair Interaction ◽  
Pair Interaction Energy ◽  
Effective Pair

Short-range order structure and effective pair-interaction energy in Ni–Si alloys

2007 ◽  
Vol 55 (16) ◽  
pp. 5382-5388 ◽  
Author(s):  
Takumi Hasegawa ◽  
Keiichi Osaka ◽  
Toshihiko Takama ◽  
Haydn Chen
Keyword(s):  
Interaction Energy ◽  
Short Range ◽  
Short Range Order ◽  
Pair Interaction ◽  
Range Order ◽  
Order Structure ◽  
Pair Interaction Energy ◽  
Effective Pair

Neutron and proton pair interaction energy

1962 ◽  
Vol 39 ◽  
pp. 551-562 ◽  
Author(s):  
P.E. Nemirovsky ◽  
Yu.V. Adamchuk
Keyword(s):  
Interaction Energy ◽  
Pair Interaction ◽  
Proton Pair ◽  
Pair Interaction Energy

Model Calculations on Base-Pair Interactions in DNA

1979 ◽  
Vol 32 (8) ◽  
pp. 1635 ◽  
Author(s):  
RGAR Maclagan
Keyword(s):  
Interaction Energy ◽  
Base Pair ◽  
Double Helix ◽  
Pair Interaction ◽  
Dna Bases ◽  
Base Pairing ◽  
Adjacent Pair ◽  
Model Calculations ◽  
Pair Interaction Energy ◽  
Phosphate Backbone

Calculations are reported using the potential field of Momany, Carruthers, McGuire and Scheraga of the intra-pair interaction energy for all 29 base-pairing schemes proposed by Donohue. Optimized relative orientations and separations of the DNA bases are given. The observed base pairing would appear to be determined principally by the base positions and orientations imposed by the fairly rigid sugar-phosphate backbone. The inter-pair interaction energies for the various possible combinations of the DNA bases in the double-helix models for the A and B forms of DNA are reported. In the model for the B form, the inter-pair interaction energy was found to be almost independent of the base-pair combination. The importance of base overlap in determining the extent to which one base pair is rotated with respect to an adjacent pair was also investigated in a preliminary manner.

scholarly journals Implementation of Pair Interaction Energy DecompositionAnalysis and Its Applications to Protein-Ligand Systems

2015 ◽  
Vol 14 (1) ◽  
pp. 1-9 ◽  
Author(s):  
Takayuki TSUKAMOTO ◽  
Koichiro KATO ◽  
Akifumi KATO ◽  
Tatsuya NAKANO ◽  
Yuji MOCHIZUKI ◽  
...  
Keyword(s):  
Interaction Energy ◽  
Pair Interaction ◽  
Pair Interaction Energy

scholarly journals Influence of Tethered Ions on Electric Polarization and Electrorheological Property of Polymerized Ionic Liquids

Molecules ◽  
2020 ◽  
Vol 25 (12) ◽  
pp. 2896 ◽  
Author(s):  
Fang He ◽  
Bo Wang ◽  
Jia Zhao ◽  
Xiaopeng Zhao ◽  
Jianbo Yin
Keyword(s):  
Ionic Liquids ◽  
Ionic Conductivity ◽  
Interaction Energy ◽  
Interfacial Polarization ◽  
Material Design ◽  
Pair Interaction ◽  
Ion Pair ◽  
Structure Property ◽  
Pair Interaction Energy ◽  
Mobile Ions

Polymerized ionic liquids (PILs) show potential to be used as new water-free polyelectrolyte-based electrorheological (ER) material. To direct ER material design at the molecular level, unveiling structure-property relationships is essential. While a few studies compare the mobile ions in PILs there is still a limited understanding of how the structure of tethered counterions on backbone influences ER property. In this study, three PILs with same mobile anions but different tethered countercations (e.g., poly(dimethyldiallylammonium) P[DADMA]+, poly(benzylethyl) trimethylammonium P[VBTMA]+, and poly(1-ethyl-4-vinylimidazolium hexafluorophosphate) P[C2VIm]+) are prepared and the influence of tethered countercations on the ER property of PILs is investigated. It shows that among these PILs, P[DADMA]+ PILs have the strongest ER property and P[C2VIm]+ PILs have the weakest one. By combining dielectric spectra analysis with DFT calculation and activation energy measurement, it can clarify that the influence of tethered counterions on ER property is mainly associated with ion-pair interaction energy that is affecting ionic conductivity and interfacial polarization induced by ion motion. P[DADMA]+ has the smallest ion-pair interaction energy with mobile ions, which can result in the highest ionic conductivity and the fastest interfacial polarization rate for its strongest ER property.

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