Search results for "Polar"
showing 10 items of 3817 documents
Reaction Mechanism of an Intramolecular Oxime Transfer Reaction: A Computational Study
2014
Density functional theory (PBE0/def2-TZVPP) calculations in conjunction with a polarizable continuum model were used to assess the mechanism of the intramolecular oxime transfer reaction that leads to the formation of isoxazolines. Different diastereomers of the intermediates as well as different oximes (formaldehyde and acetone oxime) were considered. The computed reaction profile predicts the water-addition and -expulsion steps as the highest barriers along the pathway, a conclusion that is in line with the experimental evidence obtained previously for these reactions. peerReviewed
Predictive First-principles Modeling of a Photosynthetic Antenna Protein : The Fenna-Matthews-Olson Complex
2020
High efficiency of light harvesting in photosynthetic pigment-protein complexes is governed by evolutionary-perfected protein-assisted tuning of individual pigment properties and inter-pigment interactions. Due to the large number of spectrally overlapping pigments in a typical photosynthetic complex, experimental methods often fail to unambiguously identify individual chromophore properties. Here we report a first principles-based modeling protocol capable of predicting properties of pigments in protein environment to a high precision. The technique was applied to successfully uncover electronic properties of the Fenna-Matthews-Olson (FMO) pigment-protein complex. Each of the three subunit…
Active lighting applied to three-dimensional reconstruction of specular metallic surfaces by polarization imaging
2006
International audience; In the field of industrial vision, the three-dimensional inspection of highly reflective metallic objects is still a delicate task. We deal with a new automated three-dimensional inspection system based on polarization analysis. We first present an extension of the shape-from-polarization method for dielectric surfaces to metallic surfaces. Then, we describe what we believe to be a new way of solving the ambiguity concerning the normal orientation with an active lighting system. Finally, applications to shape-defect detection are discussed, and the efficiency of the system to discriminate defects on specular metallic objects made by stamping and polishing is presente…
Polarization of high harmonic generated spectra in ion
2013
We study the polarization of the harmonics generated by a homonuclear diatomic molecule in the presence of an intense, linearly polarized laser field. The polarization parameters of the emitted radiation are investigated as function of the angle $\theta$ between the laser electric field and the molecular axis. The calculations are carried out by assuming a single active electron model with fixed nuclei; a two-dimensional model of the system is used. We find a different dependence of the parameters of the harmonics vs $\theta$ in the first or second half of the emitted spectrum. In particular, the differences are accentuated for $0^\circ < \theta < 50^\circ$, while for higher angles, until t…
Deep and Proximate Determinants of the World Income Distribution
2019
This paper studies the deep and proximate determinants of the evolution of the cross-country distribution of GDP per worker in the period 1960–2008 by a novel method based on an information criterion. We find that countries of our sample follow three distinctive growth regimes identified by two deep determinants, namely life expectancy at birth in 1960 and the share of Catholics in 1965, and that each regime is characterized by non-linearities. Growth regimes appear to be the main cause of the increased inequality and polarization, while technological catch-up, proxied by the initial level of GDP per worker, acts in the opposite direction. Finally, human capital marginally reduces polarizat…
High-flyers and underdogs: The polarisation of Finnish academic identities
2015
"Figure 12a" of "Polarization and cross section of midrapidity J/$\psi$ production in proton-proton collisions at $\sqrt{s}=510$ GeV"
2023
Invariant $F$ measured in $J/\psi$ transverse momentum bins of 0.0 < $p_T$ < 3.0 GeV/$c$ and 3.0 < $p_T$ < 10.0 GeV/$c$ overlaid with CSM and NRQCD predictions in the Helicity frame.
"Figure 11a" of "Polarization and cross section of midrapidity J/$\psi$ production in proton-proton collisions at $\sqrt{s}=510$ GeV"
2023
$\bar{\lambda}$ measured in $J/\psi$ transverse momentum bins of 0.0 < $p_T$ < 3.0 GeV/$c$ and 3.0 < $p_T$ < 10.0 GeV/$c$ overlaid with CSM and NRQCD predictions in the Helicity frame.
"Figure 10b" of "Polarization and cross section of midrapidity J/$\psi$ production in proton-proton collisions at $\sqrt{s}=510$ GeV"
2023
$\lambda_{\theta \phi}$ measured in $J/\psi$ transverse momentum bins of 0.0 < $p_T$ < 3.0 GeV/$c$ and 3.0 < $p_T$ < 10.0 GeV/$c$ overlaid with NRQCD predictions in the Helicity and Collins-Soper frames.
"Figure 9a" of "Polarization and cross section of midrapidity J/$\psi$ production in proton-proton collisions at $\sqrt{s}=510$ GeV"
2023
$\lambda_{\phi}$ measured in $J/\psi$ transverse momentum bins of 0.0 < $p_T$ < 3.0 GeV/$c$ and 3.0 < $p_T$ < 10.0 GeV/$c$ overlaid with NRQCD predictions in the Helicity and Collins-Soper frames.