Asim Najibi

A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions

Lars Goerigk, Andreas Hansen, Christoph Bauer et al. · Physical Chemistry Chemical Physics · 2017 · 1.8K citations · Full text

Gmtkn55 Benchmark Database, Chemical Thermodynamics, Engineering +14

The Nonlocal Kernel in van der Waals Density Functionals as an Additive Correction: An Extensive Analysis with Special Emphasis on the B97M-V and ωB97M-V Approaches

Asim Najibi, Lars Goerigk · Journal of Chemical Theory and Computation · 2018 · 285 citations

Engineering, Theoretical Inorganic Chemistry, Nonlocal Vdw-dfa Kernel +22

DFT <scp>‐D4</scp> counterparts of leading <scp>meta‐</scp> generalized‐gradient approximation and hybrid density functionals for energetics and geometries

Asim Najibi, Lars Goerigk · Journal of Computational Chemistry · 2020 · 147 citations · Full text

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‐Páez, Lars Goerigk · The Journal of Physical Chemistry A · 2021 · 46 citations

A Comprehensive Assessment of the Effectiveness of Orbital Optimization in Double-Hybrid Density Functionals in the Treatment of Thermochemistry, Kinetics, and Noncovalent Interactions

Asim Najibi, Lars Goerigk · The Journal of Physical Chemistry A · 2018 · 25 citations · Full text

Materials Science, Chemical Engineering, Engineering +13