[PDF] Performance of B3LYP Density Functional - ACS Publications



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detailed analysis of the performance of DFT across a wide range of chemical by UNIV JOSEPH FOURIER GRENOBLE on September 25, 2009 http://pubs acs Publication Date (Web): August 25, 2007 doi: 10 1021/jp0734474 



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13 oct 2016 · average performance is obtained with the B3P86 functional having a small amount of HF exchange into the DFT exchange and correlation functionals ACS Publications website at DOI: 10 1021/acsomega 6b00159



[PDF] Accessing the Accuracy of Density Functional Theory - CORE

8 août 2019 · performance among the testified DFT methods, while the M06-L-D3(0) ACS Publications website at DOI: 10 1021/acs jp- · clett 9b01983



[PDF] Performance of Density Functional Theory and Relativistic Effective

17 mar 2016 · assessing the performance of the DFT functional to predict the molecular ACS Publications website at DOI: 10 1021/acs jpca 6b00654



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moderate cost, time-dependent density functional theory (TD-DFT) appears to be Theisen et al 41 (2015) validated the performance of diverse DFT functionals 

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