Introduction Volatile organic compounds (VOCs) are a significant class of air pollutants that have widespread impacts on environmental pollution and human health. These organic chemicals have a high vapor pressure…
Various theoretical approaches based on capture collision theory have been developed to compute the rate coefficients of ion-molecule reactions in the gas phase. These theoretical methods require the electric dipole…
These computed molecular parameters, including dipole moment, polarizability, proton affinity, and ionization energy of volatile organic compounds (VOCs), are crucial for the identification and quantification of VOCs in chemical ionization…
Introduction Environmental monitoring is a critical aspect of modern environmental science, aimed at assessing the quality of air, water, and soil to ensure a safe and healthy environment. Gas sensing…
Introduction In the realm of computational chemistry and materials science, understanding the electronic structure of systems ranging from individual molecules to complex solids is crucial. Several quantum mechanical methods have…
Volatile Organic Compounds (VOCs) are a diverse group of organic chemicals that have a high vapor pressure at room temperature, leading to significant evaporation and release into the atmosphere. They…