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A comparative study on the suitability of virtual labs for school chemistry experiments

Praveen et al. | Aug 22, 2022

A comparative study on the suitability of virtual labs for school chemistry experiments

Virtual labs have been gaining popularity over the last few years, especially during the worldwide lockdown due to the COVID-19 pandemic. In this study, the suitability of virtual labs for school chemistry experiments is addressed and their effectiveness is compared to traditional physical lab experiments by focusing on physical and human resources, convenience, cost, safety, and time involved as well as topic "matter".

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Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

Surapaneni et al. | Aug 06, 2020

Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

In an effort to reduce the production of hazardous substances, green chemistry aims to make chemical processes more sustainable. One way to do so is changing solvents in chemical reactions. Here, authors assessed different “green” solvents on the oxidation of (-)-menthol to (-)-menthone using Fourier-transform infrared (FTIR) spectroscopy, optimizing the solvent system for this reaction.

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Error mitigation of quantum teleportation on IBM quantum computers

Chen et al. | May 15, 2023

Error mitigation of quantum teleportation on IBM quantum computers

Quantum computers can perform computational tasks beyond the capability of classical computers, such as simulating quantum systems in materials science and chemistry. Quantum teleportation is the transfer of quantum information across distances, relying on entangled states generated by quantum computing. We sought to mitigate the error of quantum teleportation which was simulated on IBM cloud quantum computers.

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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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The relationship between macroinvertebrates, water quality, and the health of Stevens Creek

Li et al. | Aug 18, 2021

The relationship between macroinvertebrates, water quality, and the health of Stevens Creek

Stevens Creek, which flows through Santa Clara County in California, provides a crucial habitat for federally designated threatened steelhead trout, with a portion of the trout’s diet being dependent on the presence and abundance of macroinvertebrates that inhabit the creek. In this article, the authors investigate how the water chemistry within the creek was associated with the abundance and diversity of macroinvertebrates, and subsequently the creek’s health. They conduct qualitative analysis of macroinvertebrates and water quality to obtain a general understanding of the health of Stevens Creek.

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Changes for Development of Al2O3 Coated PVA (Polyvinyl Alcohol) Composite Nonwoven Separator For Improving Thermal and Electrochemical Properties

Kim et al. | Oct 16, 2019

Changes for Development of Al2O3 Coated PVA (Polyvinyl Alcohol) Composite Nonwoven Separator For Improving Thermal and Electrochemical Properties

Lithium-ion batteries, a breakthrough in chemistry that enabled the electronic revolution we live today have become an essential part of our day-to-day life. A phone battery running out after a heavy day of use with limited opportunities for recharging is a well-known and resented experience by almost everyone. How then can we make batteries more efficient? This paper proposes the use of a different type of separator, that improves the charging and discharging capacities of lithium ions compared to the classical separator. This and similar attempts to improve Lithium-ion battery function could facilitate the development of higher-performance batteries that work longer and withstand harsher use.

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Breaking the Ice: A Scientific Take on the Ice Melting Abilities of Household Salts

Sehgal et al. | Dec 04, 2017

Breaking the Ice: A Scientific Take on the Ice Melting Abilities of Household Salts

The use of salt to melt ice is a common and important practice to keep roadways safe during winter months. However, various subtypes of salt differ in their chemical and physical properties, as well as their environmental impact. In this study, the authors measure the effectiveness of different salts at disrupting ice structures and identify calcium chloride as the most effective.

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Quantitative definition of chemical synthetic pathway complexity of organic compounds

Baranwal et al. | Jun 19, 2023

Quantitative definition of chemical synthetic pathway complexity of organic compounds

Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.

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