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The last 5 uploaded publications
Extensive Reference Set and Refined Computational Protocol for Calculations of 57Fe Mössbauer Parameters
Golokesh Santra, Frank Neese, Dimitrios A. Pantazis (2024). Extensive Reference Set and Refined Computational Protocol for Calculations of 57Fe Mössbauer Parameters. Physical Chemistry Chemical Physics, 26(35), pp. 23322-23334, DOI: 10.1039/d4cp00431k.
Article291 days agoA double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database
Axel D Becke, Golokesh Santra, Jan M. L. Martin (2023). A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. , 158(15), DOI: https://doi.org/10.1063/5.0141238.
Article58 days agoA double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database
Axel D Becke, Golokesh Santra, Jan M. L. Martin (2023). A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. , DOI: https://doi.org/10.48550/arxiv.2301.01187.
Preprint58 days ago