Tag rate coefficient calculator

31 July 2024

Using Collision Model-Based Rate Coefficient Calculator for Ion-Molecule Reactions in CI-MS

By quantumsimmblogs.com in CIMS, collision, CompChem, DFT, food & flavor, Food Science, Rate-coefficients, reactions Tag CIMS analysis using PTR-MS, mass volume ration in mass spectrometry, mass-to-charge ratio in mass spectrometry, Parametrized Trajectory Model, rate coefficient calculator, Rate coefficient Collision models, Rate coefficient for ion molecule ptr-ms, SIFT-MS, Su and Chesnavich

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…

31 July 2024

Development of a Molecular Properties Database for Enhanced Chemical Ionization Mass Spectrometry in Trace Gas Analysis

By quantumsimmblogs.com in CIMS, collision, kinetics, PTR-MS, Rate-coefficients, reactions Tag Chemical Ionization Mass Spectrometry, Development of a Molecular Properties Database, Dipole moment, Ionization energy, molecular properties, polarizability of neutral compounds, Proton affinity, rate coefficient calculator, Rate coefficients, Trace Gas Analysis

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…