Browsing College of Sciences and Mathematics by Issue Date
Now showing items 121-140 of 389
Southern Two-Lined Salamander Diets in Urban and Forested Streams in Western Georgia
(2022-03-03)
Streams are heavily affected by watershed urbanization as increased stormwater runoff changes their physical and chemical composition. Benthic macroinvertebrate species richness has been consistently shown to decline with ...
Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O-
(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 ...
Valence and diffuse-bound anions of noble-gas complexes with uracil
(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 ...
Life History Aspects of Exyra semicrocea (Pitcher Plant Moth) (Lepidoptera: Noctuidae)
(2022-03-03)
With as little as 3% of southeastern Coastal Plain pitcher plant bogs remaining, it is important to understand the life-history aspects of the endemic organisms that
comprise this community. In this study, we elucidate ...
Elemental Concentrations of Eleven New Caledonian Plant Species from Serpentine Soils: Elemental Correlations and Leaf-Age Effects
(2021-01-04)
- We investigated accumulation of elements (Ca, Co, Cr, Cu, Fe, K, Mg,
Mn, P, Pb, and Zn) in leaves of different ages for 11 evergreen woody plant species
from serpentine soils of New Caledonia. Species were classifi ed ...
OH3- and O2H5- double Rydberg anions: Predictions and comparisons with NH4- and N2H7-
(2021-01-26)
A low barrier in the reaction pathway between the double Rydberg isomer of OH3
− and a
hydride-water complex indicates that the former species is more difficult to isolate and characterize
through anion photoelectron ...
Surface Green’s function calculations: A nonrecursive scheme with an infinite number of principal layers
(2021-01-26)
A novel computational method for a surface Green’s function matrix is introduced for the
calculation of electrical current in molecular wires. The proposed nonrecursive approach includes an
infinite number of principal ...
Partial photoionization cross sections of and Rydberg radicals
(2021-01-26)
ammonium and oxonium Rydberg radicals from the outermost, occupied orbitals of their respective
ground states are reported. These properties are known to be relevant in photoelectron dynamics
studies. For the present ...
Assessment of transition operator reference states in electron propagator calculations
(2021-01-26)
The transition operator method combined with second-order, self-energy corrections to the electron
propagator TOEP2 may be used to calculate valence and core-electron binding energies. This
method is tested on a set of ...
Integral approximations in ab initio, electron propagator calculations
(2021-01-26)
Treatments of interelectronic repulsion that avoid four-center integrals have been incorporated in ab
initio, electron-propagator calculations with diagonal self-energy matrices. Whereas the formal
scaling of arithmetic ...
Sequential addition of H2O, CH3OH, and NH3 to Al3O3-: A theoretical study
(2021-01-26)
Photoelectron spectra of two species, Al3O3(H2O)(2)(-) and Al3O3(CH3OH)(2)(-), that are produced by the addition of two water or methanol molecules to Al3O3- are interpreted with density-functional geometry optimizations ...
Electron binding energies and Dyson orbitals of Al(5)O(m)(-) (m=3,4,5) and Al(5)O(5)H(2)(-)
(2021-01-26)
Photoelectron spectra of Al5Om
− m=3–5 and of the anion produced by the dissociative adsorption
of a water molecule by Al5O4
− are interpreted with density-functional geometry optimizations and
electron-propagator ...
Advances in Serpentine Geoecology: A Retrospective
(2021-01-04)
Rajakaruna, Nishanta, and Boyd, Robert S.
VHF and UHF Electromagnetic Radiation Produced by Streamers in Lightning
(2020-03-10)
In this letter, we report simulation results of streamer propagation and collision that produce electromagnetic radiation in the very high frequency (VHF) and ultra high frequency (UHF) bands. The streamers are initiated ...
Functional Characterization of Neuroendocrine Regulation of Branchial Carbonic Anhydrase Induction in the Euryhaline Crab Callinectes sapidus
(2020-04-02)
Carbonic anhydrase (CA) plays an essential role as a provider of counterions for Na+/H+ and Cl-/HCO3- exchange in branchial ionic uptake processes in euryhaline crustaceans. CA activity and gene expression are low in crabs ...
Bird assemblage response to restoration of fire‐suppressed longleaf pine sandhills
(2022-09-15)
The ecological restoration of fire‐suppressed habitats may require a multifaceted approach. Removal of hardwood trees together with reintroduction of fire has been suggested as a method of restoring fire‐suppressed longleaf ...
Direct ΔMBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers
(2020-01-16)
A direct method (D-ΔMBPT(2)) to calculate second-order ionization potentials (IPs), electron affinities (EAs), and excitation energies is developed. The ΔMBPT(2) method is defined as the correlated extension of the ΔHF ...
A generalized any-particle propagator theory: Prediction of proton affinities and acidity properties with the proton propagator
(2020-01-16)
We have recently extended the electron propagator theory to the treatment of any type of particle
using an Any-Particle Molecular Orbital (APMO) wavefunction as reference state. This approach,
called APMO/PT, has been ...
Highly accurate potential energy surface for the He-H-2 dimer
(2020-01-16)
A new highly accurate interaction potential is constructed for the He–H2 van der Waals complex. This
potential is fitted to 1900 ab initio energies computed at the very large-basis coupled-cluster level
and augmented by ...
Basis set converged weak interaction energies from conventional and explicitly correlated coupled-cluster approach
(2020-01-16)
Interaction energies for seven weakly bound dimers involving helium, argon, water, and methane
are computed using large correlation-consistent basis sets augmented with bond functions. The estimates of the coupled-cluster ...