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Koblar Alan Jackson

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Recent Articles
1.
Karanovich A, Jackson K, Park K
J Chem Phys . 2024 Jul; 161(1). PMID: 38949580
The interactions between the electronic magnetic moment and the nuclear spin moment, i.e., magnetic hyperfine (HF) interactions, play an important role in understanding electronic properties of magnetic systems and in...
2.
Karanovich A, Yamamoto Y, Jackson K, Park K
J Chem Phys . 2021 Jul; 155(1):014106. PMID: 34241401
We investigate the electronic structure of a planar mononuclear Cu-based molecule [Cu(CHS)] in two oxidation states (z = -2, -1) using density-functional theory (DFT) with Fermi-Löwdin orbital (FLO) self-interaction correction...
3.
Jiang M, Zeng Q, Zhang T, Yang M, Jackson K
J Chem Phys . 2012 Mar; 136(10):104501. PMID: 22423842
The lowest-energy isomers of Cu(N) clusters for N = 20-30 are identified using an unbiased search algorithm and density functional theory calculations. The low-energy structures over this size range are...
4.
Yuan X, Liu L, Wang X, Yang M, Jackson K, Jellinek J
J Phys Chem A . 2011 Jul; 115(31):8705-12. PMID: 21732667
Adsorption of molecular oxygen on Cu(N) (N = 2-10) clusters is investigated using density functional theory under the generalized gradient approximation of Perdew-Burke-Ernzerhof. An extensive structure search is performed to...
5.
Wang J, Ma L, Zhao J, Jackson K
J Chem Phys . 2009 Jun; 130(21):214307. PMID: 19508069
The lowest-energy structures of Cd(n)Te(n) (n=1-14) clusters have been studied by an unbiased simulated annealing search using first-principles molecular dynamics along with local optimization of "handmade" structures using density functional...