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Displaying 2126 - 2150 of 2539

The Role of Side Chains and Hydration on Mixed Charge Transport in n-type Polymer Films

March 30, 2025
Author(s)
Lucas Flagg, Lee Richter, Jokubas Surgailis, Victor Druet, Sophie Griggs, Xiaocui Wu, Stefania Moro, David Ohayon, Christina Kousseff, Adam Marks, Iuliana Petruta Maria, Hu Chen, Maximilian Moser, Giovanni Costantini, Iain McCulloch, Sahika inal
… synthetic strategy to design organic mixed ion-electron conductors (OMIECs). However, the impact that …

ASTRA: a Transition-Density-Matrix Approach to Molecular Ionization

November 3, 2023
Author(s)
Luca Argenti, Juan Martin Randazzo, carlos maranthe, Jeppe Olsen, Siddhartha Chattopadhyay, Barry I. Schneider
We describe ASTRA (AttoSecond TRAnsitions), a new close-coupling approach to molecular ionization that uses many-body transition density matrices between ionic states with arbitrary spin and symmetry, in combination with hybrid integrals between Gaussian

Kitaev Interactions in the Co Honeycomb Antiferromagnets Na 3 Co 2 SbO 6 and Na 2 Co 2 TeO 6

December 24, 2020
Author(s)
M. Songvilay, J. Robert, Jose Rodriguez Rivera, William D. Ratcliff, F. Damay, V. Baledent, M. Jimenez-Ruiz, P. Lejay, E. Pachoud, A. Hadj-Azzem, V. Simonet, C. Stock
Co 2+ ions in an octahedral crystal field, stabilize a jeff = 1⁄2 ground state with an orbital degree of freedom and and have been recently put forward for realising Kitaev interactions, a prediction that we have tested by investigating spin dynamics in

Spectrum of Ni V in the Vacuum Ultraviolet

November 27, 2019
Author(s)
Jacob W. Ward, A J. Raassen, Alexander Kramida, Gillian Nave
This work presents 97 remeasured Fe V wavelengths (1200 Å to 1600 Å) and 123 remeasured Ni V wavelengths (1200 Å to 1400 Å) with uncertainties of approximately 2 mÅ. An additional 67 remeasured Fe V wavelengths and 72 remeasured Ni V wavelengths with

Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids. Building a Spectral Library of Recurrent Spectra for Urine Analysis.

August 19, 2019
Author(s)
Yamil Simon, Ramesh Marupaka, Xinjian Yan, Yuxue Liang, Kelly H. Telu, Yuri A. Mirokhin, Stephen E. Stein
A large fraction of ions observed in electrospray liquid chromatography-mass spectrometry (LC-MS) experiments of biological samples remain unidentified. One the main reasons for this is that spectral libraries of pure compounds fail to account for the

Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids: Building a Spectral Library of Recurrent Spectra for Urine Analysis

August 18, 2019
Author(s)
Yamil Simon, Ramesh Marupaka, Xinjian Yan, Yuxue Liang, Kelly H. Telu, Yuri Mirokhin, Stephen E. Stein
A large fraction of ions observed in electrospray liquid chromatography–mass spectrometry (LC–ESI-MS) experiments of biological samples remain unidentified. One of the main reasons for this is that spectral libraries of pure compounds fail to account for
Displaying 2126 - 2150 of 2539
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