Lawson Daku LM - Search Results

1

Bis(Triphenylamine)Benzodifuran Chromophores: Synthesis, Electronic Properties and Application in Organic Light-Emitting Diodes.

Li H, Komatsu R, Hankache J, Sasabe H, Lawson Daku LM, Özen B, Chen S, Hauser J, Hauser A, Decurtins S, Kido J, Liu SX. Li H, et al. Among authors: lawson daku lm. Front Chem. 2021 Jul 21;9:721272. doi: 10.3389/fchem.2021.721272. eCollection 2021. Front Chem. 2021. PMID: 34368088 Free PMC article.

2

Environmental Control of the Magnetic Behavior of Transition Metal Complexes: Density Functional Theory Study of Zeolite Y Embedded Complexes [M(bpy)₃]²⁺@Y (M = Fe²⁺, Co²⁺).

Missana A, Hauser A, Lawson Daku LM. Missana A, et al. Among authors: lawson daku lm. J Phys Chem A. 2022 Sep 15;126(36):6221-6235. doi: 10.1021/acs.jpca.2c05070. Epub 2022 Sep 6. J Phys Chem A. 2022. PMID: 36067495

3

Towards accurate estimates of the spin-state energetics of spin-crossover complexes within density functional theory: a comparative case study of cobalt(II) complexes.

Vargas A, Krivokapic I, Hauser A, Lawson Daku LM. Vargas A, et al. Among authors: lawson daku lm. Phys Chem Chem Phys. 2013 Mar 21;15(11):3752-63. doi: 10.1039/c3cp44336a. Phys Chem Chem Phys. 2013. PMID: 23389801

4

Influence of Guest-Host Interactions on the Structural, Energetic, and Mössbauer Spectroscopy Properties of Iron(II)tris(2,2'-bipyridine) in the Low-Spin and High-Spin States: A Density-Functional Theory Study of the Zeolite-Y Embedded Complex.

Vargas A, Hauser A, Lawson Daku LM. Vargas A, et al. Among authors: lawson daku lm. J Chem Theory Comput. 2009 Jan 13;5(1):97-115. doi: 10.1021/ct800284g. J Chem Theory Comput. 2009. PMID: 26609824 No abstract available.

5

Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6](2+) (M = Fe, Co).

Lawson Daku LM, Aquilante F, Robinson TW, Hauser A. Lawson Daku LM, et al. J Chem Theory Comput. 2012 Nov 13;8(11):4216-31. doi: 10.1021/ct300592w. Epub 2012 Oct 12. J Chem Theory Comput. 2012. PMID: 26605585 No abstract available.

6

Density-Functional Theory Investigation of the Geometric, Energetic, and Optical Properties of the Cobalt(II)tris(2,2'-bipyridine) Complex in the High-Spin and the Jahn-Teller Active Low-Spin States.

Vargas A, Zerara M, Krausz E, Hauser A, Lawson Daku LM. Vargas A, et al. Among authors: lawson daku lm. J Chem Theory Comput. 2006 Sep;2(5):1342-59. doi: 10.1021/ct6001384. J Chem Theory Comput. 2006. PMID: 26626842

7

Ultrafast transient IR spectroscopy and DFT calculations of ruthenium(ii) polypyridyl complexes.

Sun Q, Dereka B, Vauthey E, Lawson Daku LM, Hauser A. Sun Q, et al. Among authors: lawson daku lm. Chem Sci. 2017 Jan 1;8(1):223-230. doi: 10.1039/c6sc01220e. Epub 2016 Aug 11. Chem Sci. 2017. PMID: 28451169 Free PMC article.

8

Assessment of density functionals for the high-spin/low-spin energy difference in the low-spin iron(II) tris(2,2'-bipyridine) complex.

Lawson Daku LM, Vargas A, Hauser A, Fouqueau A, Casida ME. Lawson Daku LM, et al. Chemphyschem. 2005 Jul 11;6(7):1393-410. doi: 10.1002/cphc.200400584. Chemphyschem. 2005. PMID: 15968698

9

Thiolato Protected Copper Sulfide Cluster with the Tentative Composition Cu₇₄S₁₅(2-PET)₄₅.

Baghdasaryan A, Besnard C, Lawson Daku LM, Delgado T, Burgi T. Baghdasaryan A, et al. Among authors: lawson daku lm. Inorg Chem. 2020 Feb 17;59(4):2200-2208. doi: 10.1021/acs.inorgchem.9b02828. Epub 2020 Feb 4. Inorg Chem. 2020. PMID: 32017539

10

Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+.

Fouqueau A, Casida ME, Lawson Daku LM, Hauser A, Neese F. Fouqueau A, et al. Among authors: lawson daku lm. J Chem Phys. 2005 Jan 22;122(4):44110. doi: 10.1063/1.1839854. J Chem Phys. 2005. PMID: 15740238

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