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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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Rhizosphere metagenome analysis and wet-lab approach to derive optimal strategy for lead remediation in situ

Bhat et al. | Jul 18, 2023

Rhizosphere metagenome analysis and wet-lab approach to derive optimal strategy for lead remediation <i>in situ</i>
Image credit: Karolina Grabowska

The Environmental Protection Agency (EPA) reports a significant number of heavy metal-contaminated sites across the United States. To address this public health concern, rhizoremediation using microbes has emerged as a promising solution. Here, a combination of soil microbes were inoculated in the rhizosphere in soil contaminated with 500 parts per million (ppm) of lead. Results showed rhizoremediation is an effective bioremediation strategy and may increase crop productivity by converting nonarable lands into arable lands.

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Comparative analysis of CO2 emissions of electric ride-hailing vehicles over conventional gasoline personal vehicles

Raman et al. | Jan 12, 2024

Comparative analysis of CO<sub>2</sub> emissions of electric ride-hailing vehicles over conventional gasoline personal vehicles
Image credit: Paul Hanaoka

While some believe that ride-hailing services offer reduced CO2 emissions compared to individual driving, studies have found that driving without passengers on ride-hailing trips or "deadheading" prevents this. Here, with a mathematical model, the authors investigated if the use of electric vehicles as ride-hailing vehicles could offer reduced CO2 emissions. They found that the improved vehicle efficiency and cleaner generation could in fact lower emissions compared to the use of personal gas vehicles.

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What is the optimal fuel for space flight? Efficiency, cost, and environmental impact

Kapitonova et al. | Dec 28, 2023

What is the optimal fuel for space flight? Efficiency, cost, and environmental impact
Image credit: NASA

Here, the authors sought to investigate the efficiency, cost, and environmental impact of several possible propellants that are or could be used for space flight. By deriving three novel equations, they identified harm, energy, and cost scores for each fuel, suggesting that considering each factor will be essential to the ongoing growth of the space industry.

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