Frequency-Dependent Polarizabilities of Amino Acids as Calculated by an Electrostatic Interaction Model

2005 ◽  
Vol 1 (4) ◽  
pp. 626-633 ◽  
Author(s):  
Thorsten Hansen ◽  
Lasse Jensen ◽  
Per-Olof Åstrand ◽  
Kurt V. Mikkelsen
Keyword(s):  
Amino Acids ◽  
Electrostatic Interaction ◽  
Interaction Model ◽  
Frequency Dependent

Intracellular spermine blocks TRPC4 channel via electrostatic interaction with C-terminal negative amino acids

2015 ◽  
Vol 468 (4) ◽  
pp. 551-561 ◽  
Author(s):  
Jinsung Kim ◽  
Sang Hui Moon ◽  
Young-Cheul Shin ◽  
Ju-Hong Jeon ◽  
Kyu Joo Park ◽  
...  
Keyword(s):  
Amino Acids ◽  
Electrostatic Interaction ◽  
Trpc4 Channel

A charge–dipole interaction model for the frequency-dependent polarizability of silver clusters

2009 ◽  
Vol 20 (19) ◽  
pp. 195204 ◽  
Author(s):  
A Mayer ◽  
A L González ◽  
C M Aikens ◽  
G C Schatz
Keyword(s):  
Interaction Model ◽  
Dipole Interaction ◽  
Silver Clusters ◽  
Frequency Dependent ◽  
A Charge

scholarly journals Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids

2009 ◽  
Vol 5 (8) ◽  
pp. 2115-2124 ◽  
Author(s):  
Russell DeVane ◽  
Wataru Shinoda ◽  
Preston B. Moore ◽  
Michael L. Klein
Keyword(s):  
Amino Acids ◽  
Interaction Model ◽  
Coarse Grain ◽  
Nonbonded Interaction

scholarly journals Defect Structure of Co2+ Center in α-LiIO3 Crystal

2000 ◽  
Vol 55 (9-10) ◽  
pp. 828-832 ◽  
Keyword(s):  
Electrostatic Interaction ◽  
Configuration Interaction ◽  
Defect Structure ◽  
Structural Parameters ◽  
Interaction Model ◽  
Optical Spectra ◽  
Cluster Approach ◽  
Displacement Direction

Abstract In this paper we establish the formulas of EPR g||, g⟂, for 3d7 ions in trigonal octahedral crystals from a cluster approach. In these formulas, the contributions from configuration interaction-and covalency-effects are considered. The parameters related to both effects can be determined from the optical spectra and the structural parameters of the studied crystal. With these formulas, the defect structure of a Co2+ center in α-LiIO3 crystal is studied. It is found that, to reach good fits between the calculated and observed g||, g⟂ , the O2_ ions between Co2+ and Li+ vacancy (VLi) should shift away from the VLi by about 0.49 Å. The displacement direction is consistent with those obtained for Cr3+ , Fe3+ , and Mn2+ centers in α-LiIO3 crystals as well as with the expectation based on the electrostatic interaction model.

scholarly journals Secondary Electrostatic Interaction Model Revised: Prediction Comes Mainly from Measuring Charge Accumulation in Hydrogen-Bonded Monomers

2019 ◽  
Vol 141 (12) ◽  
pp. 4878-4885 ◽  
Author(s):  
Stephanie C. C. van der Lubbe ◽  
Francesco Zaccaria ◽  
Xiaobo Sun ◽  
Célia Fonseca Guerra
Keyword(s):  
Electrostatic Interaction ◽  
Interaction Model ◽  
Charge Accumulation ◽  
Hydrogen Bonded

Frequency-Dependent Molecular Polarizability Calculated within an Interaction Model

2000 ◽  
Vol 104 (7) ◽  
pp. 1563-1569 ◽  
Author(s):  
Lasse Jensen ◽  
Per-Olof Åstrand ◽  
Kristian O. Sylvester-Hvid ◽  
Kurt V. Mikkelsen
Keyword(s):  
Interaction Model ◽  
Molecular Polarizability ◽  
Frequency Dependent
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