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College of Sciences and Mathematics

Recent Submissions

Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O- 

Zein, S; Ortiz, J. V.; Ortiz, Joseph Vincent (2020-08-20)
Recently measured photoelectron spectra of the Na3O- anion have been interpreted with the aid of ab initio electron propagator calculations. As in the case of the Li3O-, we propose that the photoionization of ground and ...

On the accuracy of explicitly correlated coupled-cluster interaction energies - have orbital results been beaten yet? 

Patkowski, Konrad (2020-08-20)
The basis set convergence of weak interaction energies for dimers of noble gases helium through krypton is studied for six variants of the explicitly correlated, frozen geminal coupled-cluster singles, doubles, and ...

Valence and diffuse-bound anions of noble-gas complexes with uracil 

Streit, Livia; Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V.; Ortiz, Joseph Vincent (2020-08-20)
Valence-bound (VB) and diffuse-bound (DB) anions of noble-gas (Ar, Kr, and Xe) complexes with uracil have been studied with ab initio methods. MP2 optimizations revealed minima corresponding to anions of both kinds in ...

Subunit D of RNA Polymerase from Methanosarcina acetivorans Contains Two Oxygen-labile [4Fe-4S] Clusters IMPLICATIONS FOR OXIDANT-DEPENDENT REGULATION OF TRANSCRIPTION 

Lessner, Faith H.; Jennings, Matthew E.; Hirata, Akira; Duin, Eduardus C.; Lessner, Daniel J. (2020-08-20)
Subunit D of multisubunit RNA polymerase from many species of archaea is predicted to bind one to two iron-sulfur (Fe-S) clusters, the function of which is unknown. A survey of encoded subunit D in the genomes of sequenced ...

Data for: Ecologically relevant thermal fluctuations enhance offspring fitness: biological and methodological implications for studies of thermal developmental plasticity 

Hall, Joshua M; Warner, Daniel A; 0000-0002-5587-3402 (2020-08-03)
Natural thermal environments are notably complex and challenging to mimic in controlled studies. Consequently, our understanding of the ecological relevance and underlying mechanisms of organismal responses to thermal ...

Eukaryotic N-Glycosylation Occurs via the Membrane-anchored C-terminal Domain of the Stt3p Subunit of Oligosaccharyltransferase 

Huang, Chengdong; Bhaskaran, Rajagopalan; Mohanty, Smita (2020-07-24)
N-Glycosylation is an essential and highly conserved protein modification. In eukaryotes, it is catalyzed by a multisubunit membrane-associated enzyme, oligosaccharyltransferase (OT). We report the high resolution ...

A Remodeled Protein Arginine Methyltransferase 1 (PRMT1) Generates Symmetric Dimethylarginine 

Gui, Shanying; Gathiaka, Symon; Li, Jun; Qu, Jun; Acevedo, Orlando; Hevel, Joan M. (2020-07-24)
Protein arginine methylation is emerging as a significant post-translational modification involved in various cell processes and human diseases. As the major arginine methylation enzyme, protein arginine methyltransferase ...

Generation of anomalous flows near the bow shock by its interaction with interplanetary discontinuities 

Lin, Yu; 0000-0001-8003-9252 (2020-06-30)
Two-dimensional hybrid simulations using a curvilinear coordinate system are carried out to study the interaction of the Earth's bow shock (BS) with an interplanetary directional discontinuity. In particular, plasma flow ...

Three-dimensional MHD simulations of interplanetary rotational discontinuities impacting the Earth's bow shock and magnetosheath 

Cable, S.; Lin, Y.; 0000-0001-8003-9252 (2020-06-30)
The first ever fully three-dimensional magnetohydrodynamic (MHD) simulations of the detailed effects of MHD discontinuities on the magnetosheath have been performed. The simulation results predict that the interaction ...

Solitary potential structures associated with ion and electron beams near 1 R-E altitude 

Bounds, SR; Pfaff, Rf; Knowlton, SF; Mozer, FS; Temerin, MA; Kletzing, CA (2020-06-30)
Small-scale solitary electric potential structures are commonly observed on auroral field lines with the Polar Electric Field Instrument (EFI). This study focuses on observations of solitary structures in the southern ...

Magnetic field rotation and transition width in rotational discontinuities and Alfven wave trains 

Lin, Y.; Lee, LC.; 0000-0001-8003-9252 (2020-06-30)
A hybrid simulation is carried out to study the evolution of magnetic field rotations in rotational discontinuities (RDs) and large-amplitude Alfven wave trains (AWTs) whose initial field rotation angle \Delta Phi\ > 180 ...

Two-dimensional hybrid simulation of the dayside reconnection layer and associated ion transport 

Xie, H.; Lin, Y.; 0000-0001-8003-9252 (2020-06-30)
The structure of the reconnection layer at the dayside magnetopause is studied by using a two-dimensional (2-D) hybrid code. The simulation domain is a rectangle in the at plane around an X line at the magnetopause. In our ...

Two-dimensional global hybrid simulation of pressure evolution and waves in the magnetosheath 

Lin, Y; Denton, RE; Lee, LC; Chao, JK; 0000-0001-8003-9252 (2020-06-30)
A two-dimensional hybrid simulation is carried out for the global structure of the magnetosheath. Quasi-perpendicular magnetosonic/fast mode waves with large-amplitude in-phase oscillations of the magnetic field and the ...

Lattice thermal conductivity of MgO at conditions of Earth's interior 

Tang, Xiaoli; Dong, Jianjun (2020-06-29)
Thermal conductivity of the Earth’s lower mantle greatly impacts the mantle convection style and affects the heat conduction from the core to the mantle. Direct laboratory measurement of thermal conductivity of mantle ...

Global hybrid simulation of the dayside reconnection layer and associated field-aligned currents 

Lin, Y.; 0000-0001-8003-9252 (2020-06-26)
A two-dimensional global hybrid simulation is carried out to study the structure of the magnetopause boundary layer in the noon-midnight meridian plane associated with the dayside reconnection. In the simulation the bow ...

Outflow from the ionosphere in the vicinity of the cusp 

Valek, PW; Perez, JD; Jahn, JM; Pollock, CJ; Wuest, MP; Friedel, RHW; Moore, TE; Peterson, WK (2020-06-26)
Low-energy ion outflows from the ionosphere are known to be an important source of plasma for the magnetosphere. The objective of this study is to describe the spatial relationships between low-energy ionospheric outflows ...

Generation of near-Earth reconnection by divergent flows in the plasma sheet 

Lin, Y.; Swift, DW; 0000-0001-8003-9252 (2020-06-25)
A global two-dimensional hybrid simulation is carried out to study the evolution of the near-Earth plasma sheet. It is shown that reconnection X lines and plasmoids can be generated by diverging flows in the plasma sheet. ...

DAVIS: A direct algorithm for velocity-map imaging system 

Harrison, G. R.; Vaughan, J. C.; Hidle, B.; Laurent, G. M.; https://orcid.org/0000-0002-3700-7412 (2020-06-25)
In this work, we report a direct (non-iterative) algorithm to reconstruct the three-dimensional (3D) momentum-space picture of any charged particles collected with a velocity-map imaging system from the two-dimensional ...

DAVIS: A direct algorithm for velocity-map imaging system 

Harrison, G. R.; Vaughan, J. C.; Hidle, B.; Laurent, G. M.; https://orcid.org/0000-0002-3700-7412 (2020-06-25)
In this work, we report a direct (non-iterative) algorithm to reconstruct the three-dimensional (3D) momentum-space picture of any charged particles collected with a velocity-map imaging system from the two-dimensional ...

Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimer 

Song, Bo; Waldrop, Jonathan M.; Wang, Xiaopo; Patkowski, Konrad; https://orcid.org/0000-0002-4468-207X (2020-06-25)
We have developed a new krypton-krypton interaction-induced isotropic dipole polarizability curve based on high-level ab initio methods. The determination was carried out using the coupled-cluster singles and doubles plus ...

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