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Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes

Pan et al. | Mar 06, 2024

Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes
Image credit: The authors

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

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The Effect of Various Liquid Mediums on the Transport of Photonic Energy and its Impact on the Quantum Efficiency of Photovoltaic Cells

Payra et al. | May 05, 2015

The Effect of Various Liquid Mediums on the Transport of Photonic Energy and its Impact on the Quantum Efficiency of Photovoltaic Cells

A photovoltaic cell (PV cell), or solar cell, converts the energy of light into electricity and is the basis for solar power. In order to increase the efficiency of PV cells, the authors in this study used common household items as photon transmissions mediums and measured their effects on the temperature and voltage output of the PV cells.

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The Effect of Radiant Energy on Radish Seed Germination

Simon et al. | Jul 06, 2018

The Effect of Radiant Energy on Radish Seed Germination

Simon and colleagues test how exposure to microwaves affect radish seed germination, either microwaving seeds for ninety seconds or four minutes prior to planting. Surprisingly, the authors found that seeds microwaved for four minutes exhibited 150% increased germination as compared to controls. The authors hypothesize that breakdown of the radish seed coat when exposed to heat may allow seedlings to sprout more efficiently.

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The Effect of Bead Shape and Texture on the Energy Loss Characteristics in a Rotating Capsule

Misra et al. | Jan 25, 2019

The Effect of Bead Shape and Texture on the Energy Loss Characteristics in a Rotating Capsule

Industrial process are designed to optimize speed, energy use and quality. Some steps involve the translation of product-filled barrels, how far and fast this happens depends on the properties of the product within. This article investigates such properties on a mini-scale, where the roll of bead size, texture and material on the distance travelled by a cylindrical capsule is investigated.

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Thermoelectric Power Generation: Harnessing Solar Thermal Energy to Power an Air Conditioner

Lew et al. | Jul 06, 2021

Thermoelectric Power Generation: Harnessing Solar Thermal Energy to Power an Air Conditioner

The authors test the feasibility of using thermoelectric modules as a power source and as an air conditioner to decrease reliance on fossil fuels. The results showed that, at its peak, their battery generated 27% more power – in watts per square inch – than a solar panel, and the thermoelectric air conditioner operated despite an unsteady input voltage. The battery has incredible potential, especially if its peak power output can be maintained.

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Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

Gangal et al. | Oct 05, 2023

Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

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