Exploring Computational Chemistry with ChemCompute
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Publisher
Springer Science and Business Media LLC
Link
https://link.springer.com/content/pdf/10.1007/s12045-024-1095-0.pdf
Reference5 articles.
1. M J Perri and S H Weber, Web-based job submission interface for the GAMESS computational chemistry program, J. Chem. Edu., Vol.91, No.12, pp.2206–2208, 2014.
2. M S Reeves, H L Berghout, M J Perri, S M Singleton and R M Whitnell, How can you measure a reaction enthalpy without going into the lab? Using computational chemistry data to draw a conclusion. In: Using Computational Methods to Teach Chemical Principles, A Grushow and M S Reeves (eds), American Chemical Society, Washington, DC, pp.51–63, 2019.
3. N J Hill, M D Bowman, B J Esselman, S D Byron, J Kreitinger and N E Leadbeater, Ligand-free Suzuki-Miyaura coupling reactions using an inexpensive aqueous palladium source: a synthetic and computational exercise for the undergraduate organic chemistry laboratory, J. Chem. Edu., Vol.9, No.7, pp.1054–1057, 2014.
4. M S Reeves and R M Whitnell, New computational physical chemistry experiments: using POGIL techniques with ab initio and molecular dynamics calculations. In: Addressing the Millennial Student in Undergraduate Chemistry, G E Potts and C R Dockery (eds), American Chemical Society, Washington, pp.71–90, 2014.
5. M J Perri, Online data generation in quantitative analysis: excel spreadsheets and an online HPLC simulator using a Jupyter notebook on the chem compute website, J. Chem. Edu., Vol.97, No.9, pp.2950–2954, 2020.
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