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Kumar A, DeGregorio N, Iyengar SS. Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions. J Chem Theory Comput. 2021;17(11):6671-6690doi: 10.1021/acs.jctc.1c00065.
Kumar, A., DeGregorio, N., & Iyengar, S. S. (2021). Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions. Journal of chemical theory and computation, 17(11), 6671-6690. https://doi.org/10.1021/acs.jctc.1c00065
Kumar, Anup, et al. "Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions." Journal of chemical theory and computation vol. 17,11 (2021): 6671-6690. doi: https://doi.org/10.1021/acs.jctc.1c00065
Kumar A, DeGregorio N, Iyengar SS. Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions. J Chem Theory Comput. 2021 Nov 09;17(11):6671-6690. doi: 10.1021/acs.jctc.1c00065. Epub 2021 Oct 08. PMID: 34623129.
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