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Theoretical and Computational Chemistry

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Marcos Casanova Paez

3 results in Authors: Marcos Casanova Paez

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

606

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Theoretical and Computational Chemistry

Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet-Singlet and Singlet-Triplet Excitation Energies

Marcos Casanova Paez, Lars Goerigk

Version 2 posted 06 July 2021

990

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Theoretical and Computational Chemistry

Assessing recent time-dependent double-hybrid density functionals on doublet-doublet excitations

Joshua Van Dijk, Marcos Casanova-Paez, Lars Goerigk

Version 2 posted 12 April 2022

275

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1

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