Posted inCompChem CompResouces DFT Exploring DFT Functionals: CAM-B3LYP Posted by By quantumsimmblogs.com 3 August 2024Posted inCompChem, CompResouces, DFTTags: B3LYP, CAM-B3LYP, DFT Functional, DFT Functional List, DFT Functional Strengths and Limitations, DFT Performance, Exploring DFT Functionals, M06-2X, wB97X-DNo Comments Introduction to Density Functional Theory (DFT) Density Functional Theory (DFT) is a widely employed quantum…
Posted inCIMS CompResouces food & flavor Food Science PTR-MS quality control Comprehensive list of Volatile Organic Compounds (VOCs), their occurrence, and health effects – Part 2 Posted by By quantumsimmblogs.com 27 July 2024Posted inCIMS, CompResouces, food & flavor, Food Science, PTR-MS, quality controlTags: environmental and health challenges, health effects of VOC exposure, presence of VOCs in the atmosphere, volatile organic compoundsNo Comments Volatile Organic Compounds (VOCs) are a diverse group of organic chemicals that have a high…
Posted inCompResouces computer desktop PC build Post PC Build: Window 10 Installation, Working, Performance, Benchmarks Posted by By Manjeet Bhatia 2 April 2023Posted inCompResouces, computer, desktop, PC buildTags: CPU Benchmarks, CrystalDiskMark, DFT Calculations, SSD over HDD, Window InstallationNo Comments Window Installation Download Windows 10 from the official Microsoft website via the media creation tool.…
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…