Posted inCompChem Science Exploring the Frontier: Journals in Computational Chemistry Posted by By quantumsimmblogs.com 5 May 2024Posted inCompChem, ScienceTags: American Chemical Society, Chemical Physics Letters, Computational Chemistry, Journals in Computational Chemistry, multidisciplinary chemistry studiesNo Comments In computational chemistry, there are several reputable journals where researchers can publish their work. Here…
Posted inCompChem computer Science Frontiers in Chemical Ionization Mass Spectrometry: Top Journals for Cutting-Edge Research Posted by By quantumsimmblogs.com 1 May 2024Posted inCompChem, computer, ScienceTags: Chemical Ionization Mass Spectrometry, International Journal of Mass Spectrometry, Journals in Chemical Ionization Mass Spectrometry, Mass SpectrometryNo Comments Image credit: ionicon Chemical ionization mass spectrometry (CI-MS) is a technique used to analyze the…
Posted inCIMS collision CompChem kinetics Rate-coefficients reactions Rate Coefficients in Ion-Molecule Collision Reactions Posted by By Manjeet Bhatia 8 May 2023Posted inCIMS, collision, CompChem, kinetics, Rate-coefficients, reactionsTags: Collision Model, Collision theory by Su and Chesnavich, ion-molecule collision reactions, Proton transfer reactions, PTR-MS, Rate coefficient for ion molecule ptr-ms, Rate coefficientsNo Comments Ion-molecule Collision Reactions in Gas-Phase In mass spectrometry, ion-molecule reactions refer to the chemical reactions…
Posted inCompChem CompResouces computer desktop PC build Build a Low-cost Efficient PC for Computational Chemistry Posted by By Manjeet Bhatia 20 March 2023Posted inCompChem, CompResouces, computer, desktop, PC buildTags: 12100 quad-core CPU, Build a Low-cost Efficient PC for Computational Chemistry, Intel Core i3, LGA 1700 motherboard4 Comments Intel Core i3, 12100 quad-core CPU, 16 GB RAM, 240 GB SSD storage (Under 25000…
Posted inCompChem CompResouces Computational Chemistry vs Computational Resources Posted by By Manjeet Bhatia 20 March 2023Posted inCompChem, CompResoucesTags: computational calculations, Computational Chemistry Calculations, Computational Chemistry vs Computational Resources, Gaussian, high-performance computer, or NWChem, Quantum ESPRESSO, VASPNo Comments Ab initio calculations, which are quantum mechanical calculations performed without any experimentally determined input, require…
Posted inCompChem DFT Dispersion Correction (DFT-D) in Gaussian (g16) Posted by By Manjeet Bhatia 9 March 2023Posted inCompChem, DFTTags: damping function, Density function theory, dispersion correction (DFT-D3), electronic structure calculations in computational chemistry, Gaussian 16, weak interactionsNo Comments Density function theory (DFT) has been a popular method for electronic structure calculations in…