scholarly journals Serial Generalized Ensemble Simulations of Biomolecules with Self-Consistent Determination of Weights

2012 ◽  
Vol 8 (7) ◽  
pp. 2552-2552 ◽  
Author(s):  
Riccardo Chelli ◽  
Giorgio F. Signorini
Keyword(s):  
Ensemble Simulations ◽  
Self Consistent

scholarly journals Accuracy of Doppler Determinations of Station Positions

1972 ◽  
Vol 48 ◽  
pp. 101-103
Author(s):  
R. J. Anderle
Keyword(s):  
Elevation Angle ◽  
High Elevation ◽  
Time Of Day ◽  
Satellite Observations ◽  
Standard Errors ◽  
Lower Elevation ◽  
Self Consistent

Locations of Doppler satellite observing stations have been revised to obtain a set which is more self-consistent and more consistent with the CIO pole. Residuals of satellite observations for 1970 have been analyzed using the new coordinates to determine mean and standard errors for five days of observations of latitude versus station, time of day, and elevation angle. The accuracy of the determination of latitude is about 4 meters at moderate and high elevation angles. But since more satellite passes occur at lower elevation angles, the accuracy of determination of a component of position based on five days of observation of one satellite is only about 2 meters.

A multitechnique investigation of the second order NLO response of a 10,20-diphenylporphyrinato nickel(II) complex carrying a phenylethynyl based push-pull system in the 5- and 15-positions

2004 ◽  
Vol 08 (11) ◽  
pp. 1311-1324 ◽  
Author(s):  
Maddalena Pizzotti ◽  
Elisabetta Annoni ◽  
Renato Ugo ◽  
Silvia Bruni ◽  
Silvio Quici ◽  
...  
Keyword(s):  
Ab Initio ◽  
Planar Structure ◽  
Third Order ◽  
Incident Wavelength ◽  
Pull System ◽  
Nlo Response ◽  
Self Consistent ◽  
Order Of Magnitude ◽  
Zero Frequency

A multitechnique investigation of the determination of the order of magnitude of the second and third order NLO response of [5-[(4-dimethylaminophenyl)ethynyl]-15-[(4-nitrophenyl)ethynyl]-10,20-diphenylporphyrinato]nickel(II) (1) is reported with the aim to produce self consistent evidence for a significant NLO response of this kind of push-pull porphyrin chromophore. The experimental multitechnique approach is based on the EFISH technique, working with a non-resonant incident wavelength of 1.907 μm, on the solvatochromic method and finally on a vibrational method, avoiding any fluorescence or resonance interference. A theoretical MNDO-TDHF evaluation of the zero-frequency quadratic and cubic hyperpolarizabilities of an ab initio optimized planar structure is also reported. The order of magnitude of the quadratic hyperpolarizability of (1) at zero frequency (β0), was found to be significantly lower than that reported for the corresponding Cu (II) or Zn (II) complexes with the same push-pull porphyrin chromophore.

scholarly journals Self-consistent determination of spin Hall angle and spin diffusion length in Pt and Pd: The role of the interface spin loss

2018 ◽  
Vol 4 (6) ◽  
pp. eaat1670 ◽  
Author(s):  
Xinde Tao ◽  
Qi Liu ◽  
Bingfeng Miao ◽  
Rui Yu ◽  
Zheng Feng ◽  
...  
Keyword(s):  
Spin Diffusion ◽  
Diffusion Length ◽  
Self Consistent ◽  
Hall Angle ◽  
Spin Diffusion Length
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