College of Sciences and Mathematics: Recent submissions
Now showing items 341-360 of 393
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 ...
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 ...
Assignment of photoelectron spectra of halide–water clusters: Contrasting patterns of delocalization in Dyson orbitals
(2020-01-16)
Ab initio electron propagator calculations in various self-energy approximations provide accurate
assignments of peaks observed in the photoelectron spectra of complexes that comprise a fluoride
or chloride anion and two ...
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 ...
Two-photon imaging of Zn2+ dynamics in mossy fiber boutons of adult hippocampal slices
(2020-01-16)
Mossy fiber termini in the hippocampus accumulate Zn2+, which is released with glutamate from synaptic vesicles upon neural excitation. Understanding the spatiotemporal regulation of mobile Zn2+ at the synaptic level is ...
Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicals
(2020-01-16)
Vertical excitation energies of the methyl and silyl radicals were inferred from ab initio electron
propagator calculations on the electron affinities of CH3
+ and SiH3
+. Photoionization cross sections
and angular ...
High-Throughput Sequencing Characterizes Intertidal Meiofaunal Communities in Northern Gulf of Mexico (Dauphin Island and Mobile Bay, Alabama)
(2019-12-20)
Abstract. Meiofauna are important components of food webs and for nutrient exchange between the benthos and water column. Recent studies have focused on these communities in the Gulf of Mexico due to potential impacts of ...
Data for: Adaptive seasonal shift towards investment in fewer, larger offspring: Evidence from field and laboratory studies
(2019-12-20)
1. Seasonal changes in reproduction have been described for many taxa. As reproductive seasons progress, females often shift from greater energetic investment in many small offspring towards investing less total energy ...
The NSF/DOE Partnership in Basic Plasma Science & Engineering at 20: Report on the Anniversary Workshop
(2019-11-11)
A workshop recognizing the 20th anniversary of the NSF/DOE Partnership in Basic Plasma Science and Engineering was held at NSF on January 9-11, 2017. The workshop demonstrated some of the remarkable research and broader ...
Interspecific combat observed among viperid snakes
(2019-10-22)
nadiv: an R package to create relatedness matrices for estimating non-additive genetic variances in animal models
(2019-09-15)
1. The Non-Additive InVerses (nadiv) R software package contains functions to create and use non-additive genetic relationship matrices in the animal model of quantitative genetics.
2. This study discusses the concepts ...
Thermal Spikes Caused by the Urban Heat Island Effect Result in Differential Egg Survival of a Non-native Lizard (Anolis cristatellus)
(2019-09-15)
Embryonic development in ectotherms is very sensitive to abiotic nest conditions. In reptiles, high incubation temperatures often result in relatively short incubation periods and large hatching size, but extremely high ...
Thermal Spikes Caused by the Urban Heat Island Effect Result in Differential Egg Survival of a Non-native Lizard (Anolis cristatellus)
(2019-09-15)
Embryonic development in ectotherms is very sensitive to abiotic nest conditions. In reptiles, high incubation temperatures often result in relatively short incubation periods and large hatching size, but extremely high ...
Does season-dependent reproductive value of offspring drive the evolution of life-history traits in Anolis lizards?
(2019-09-15)
An important component of the reproductive strategy of many animals involves a seasonal shift in reproductive traits (i.e., clutch size, egg quality). Such shifts typically occur because environmental factors that influence ...
Embryological development and global change: how do reptile embryos respond to thermal stress in urban environments?
(2019-09-15)
Two components of global change, climate change and urbanization, both contribute to increased ambient temperatures that may induce heat stress or mortality in animals. Each phenomenon independently results in both increased ...
Embryo development and global change: how do reptile embryos respond to ecologically relevant thermal stress?
(2019-09-15)
Two components of global change, climate change and urbanization, both contribute to increased ambient temperatures that may induce heat stress or mortality in animals. Each phenomenon independently results in both increased ...
Embryo development and global change: how do reptile embryos respond to ecologically relevant thermal stress?
(2019-09-15)
Two components of global change, climate change and urbanization, contribute to increased ambient temperatures that cause heat stress or mortality in animals. Many animals can respond to harmful temperatures behaviorally; ...
Constantly fluctuating in an inconsistent way: comparing the effects of sinusoidal and naturally fluctuating incubation temperatures on embryo development
(2019-09-15)
Temperature is a commonly studied environmental factor influencing embryo development in oviparous ectotherms. Though most studies use constant temperature incubation conditions, researchers are aware of the effects of ...
Lizard embryos prioritize post-hatching energy reserves over increased hatchling body size during development
(2019-09-09)
Embryonic development in oviparous organisms is fueled by maternally-allocated yolk, with many organisms hatching before that energy store is completely used up; the resultant leftover (residual) yolk is internalized and ...