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Karl Kue
Karl Kue
Unknown affiliation
Verified email at upd.edu.ph
Title
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Year
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
6662021
First principle prediction of intramolecular singlet fission and triplet triplet annihilation rates
HH Lin, KY Kue, GC Claudio, CP Hsu
Journal of Chemical Theory and Computation 15 (4), 2246-2253, 2019
182019
Hamiltonian-independent generalization of the fragment excitation difference scheme
KY Kue, GC Claudio, CP Hsu
Journal of Chemical Theory and Computation 14 (3), 1304-1310, 2018
72018
Enhancing Singlet Fission Coupling with Nonbonding Orbitals
A Manjanath, CH Yang, K Kue, CI Wang, GC Claudio, CP Hsu
Journal of Chemical Theory and Computation 18 (2), 1017-1029, 2022
22022
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