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Theoretical and Computational Chemistry

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double-hybrid density functionals

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2 results in Keywords: double-hybrid density functionals

Theoretical and Computational Chemistry

An Analysis of Recent BLYP and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics and Noncovalent Interactions

Asim Najibi, Marcos Casanova Paez, Lars Goerigk

Version 1 posted 23 March 2021

578

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Theoretical and Computational Chemistry

`Diet GMKTN55' Offers Accelerated Benchmarking Through a Representative Subset Approach

Version 2 posted 05 September 2018

693

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