L. M. Lawson Daku

发表

Resolving the Ultrafast Changes of Chemically Inequivalent Metal–Ligand Bonds in Photoexcited Molecular Complexes with Transient X-ray Absorption Spectroscopy

Xiaoyi Zhang, S. Canton, Jianxin Zhang, 2019, ACS omega.

A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.

M. Shatruk, L. M. Lawson Daku, H. Phan, 2017, Journal of the American Chemical Society.

Photoswitching of the dielectric constant of the spin-crossover complex [Fe(L)(CN)2]H2O.

G. Molnár, A. Bousseksou, L. M. Lawson Daku, 2006, Angewandte Chemie.

Pd2Au36(SR)24 cluster: structure studies.

T. Bürgi, J. Llorca, M. Nachtegaal, 2015, Nanoscale.

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

E. Vauthey, A. Hauser, L. M. Lawson Daku, 2016, Chemical science.

Where does the Raman optical activity of [Rh(en)3](3+) come from? Insight from a combined experimental and theoretical approach.

H. Hagemann, T. Bürgi, S. Luber, 2014, Physical chemistry chemical physics : PCCP.

Visualizing the coordination-spheres of photoexcited transition metal complexes with ultrafast hard X-rays.

M. Wulff, S. Canton, C. Bressler, 2019, Physical chemistry chemical physics : PCCP.

Complex-as-Ligand Strategy as a Tool for the Design of a Binuclear Nonsymmetrical Chromium(III) Assembly: Near-Infrared Double Emission and Intramolecular Energy Transfer.

L. M. Lawson Daku, C. Piguet, J. Jiménez, 2022, Inorganic chemistry.

Theoretical Study of Halogenated B12H nX(12- n)2- (X = F, Cl, Br).

H. Hagemann, Manish Sharma, L. M. Lawson Daku, 2019, The journal of physical chemistry. A.

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+).

A. Hauser, L. M. Lawson Daku, Andrea Missana, 2022, The journal of physical chemistry. A.

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

A. Hauser, L. M. Lawson Daku, Itana Krivokapic, 2013, Physical chemistry chemical physics : PCCP.

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.

A. Hauser, L. M. Lawson Daku, A. Vargas, 2009, Journal of chemical theory and computation.

Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: III. [Fe(tpen)]Cl2 in acetonitrile

L. M. Lawson Daku, 2020, RSC advances.

Quantitative Assessment of B-B-B, B-Hb -B, and B-Ht Bonds: From BH3 to B12H122.

H. Hagemann, E. Kraka, L. M. Lawson Daku, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

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

A. Hauser, F. Aquilante, L. M. Lawson Daku, 2012, Journal of chemical theory and computation.

Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I).

H. Hagemann, E. Kraka, L. M. Lawson Daku, 2020, The journal of physical chemistry. A.

Intramolecular Charge‐Transfer Dynamics in Benzodifuran‐Based Triads

E. Vauthey, A. Hauser, R. Häner, 2021, Helvetica Chimica Acta.

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

J. Kido, A. Hauser, L. M. Lawson Daku, 2021, Frontiers in Chemistry.

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.

A. Hauser, L. M. Lawson Daku, E. Krausz, 2006, Journal of chemical theory and computation.

Ligand exchange reactions on the chiral Au38 cluster: CD modulation caused by the modification of the ligand shell composition.

T. Bürgi, A. Baghdasaryan, N. Avarvari, 2020, Nanoscale.

Probing the Impact of Solvation on Photoexcited Spin Crossover Complexes with High-Precision X-ray Transient Absorption Spectroscopy.

Xiaoyi Zhang, S. Canton, D. Gosztola, 2017, Journal of the American Chemical Society.

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

M. E. Casida, A. Hauser, L. M. Lawson Daku, 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B–H Species

H. Hagemann, L. M. Lawson Daku, Daniel Sethio, 2019, ACS omega.

Ab initio static and molecular dynamics study of 4-styrylpyridine.

L. M. Lawson Daku, J. Linares, M. Boillot, 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

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+.

F. Neese, M. E. Casida, A. Hauser, 2005, The Journal of chemical physics.

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

A. Baghdasaryan, L. M. Lawson Daku, C. Besnard, 2020, Inorganic chemistry.

Halide Free M(BH4)2 (M = Sr, Ba, and Eu) Synthesis, Structure, and Decomposition.

H. Hagemann, R. Černý, Manish Sharma, 2016, Inorganic chemistry.

Al3Li4(BH4)13: a complex double-cation borohydride with a new structure.

H. Hagemann, R. Černý, L. Schultz, 2010, Chemistry.

Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: II. aqueous [Fe(tpy)2]Cl2.

L. M. Lawson Daku, 2019, Physical chemistry chemical physics : PCCP.

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 the hexaquoferrous cation [Fe(H2O)6]2+.

F. Neese, M. E. Casida, A. Hauser, 2004, The Journal of chemical physics.

Room-Temperature Bistability in Spin Crossover-Loaded Metal–Organic Frameworks

G. Patriarche, C. Serre, J. Greneche, 2023, Chemistry of Materials.