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Intramolecular Charge‐Transfer Dynamics in Benzodifuran‐Based Triads Keller, Stephan; Hankache, Jihane; Yushchenko, Oleksandr; Lawson Daku, Latevi Max; ... Liu, Shi‐Xia 2021
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Ligand exchange reactions on the chiral Au38 cluster: CD modulation caused by the modification of the ligand shell composition Baghdasaryan, Ani; Martin, Kévin; Lawson Daku, Latevi Max; MastropasquaTalamo, Maurizio; ... Buergi, Thomas 2020
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Thiolato Protected Copper Sulfide Cluster with the Tentative Composition Cu74S15(2-PET)45 Baghdasaryan, Ani; Besnard, Céline; Lawson Daku, Latevi Max; Delgado, Teresa; Buergi, Thomas 2020
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Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I) Sethio, Daniel; Martins, João B. L.; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf; Kraka, Elfi 2020
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Theoretical Study of Halogenated B12H(n)X(12-n)2- (X = F, Cl, Br) Sharma, Manish; Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2019
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Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B–H Species Maillard, Robert; Sethio, Daniel; Hagemann, Hans-Rudolf; Lawson Daku, Latevi Max 2019
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Quantitative Assessment of B−B−B, B−Hb−B, and B−Ht Bonds: From BH3 to B12H122− Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf; Kraka, Elfi 2019
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Correlating Boron-Hydrogen Stretching Frequencies with Boron-Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations Hagemann, Hans-Rudolf; Sharma, Manish; Sethio, Daniel; Lawson Daku, Latevi Max 2018
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Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10 and CB11H12 Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2017
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Ultrafast transient IR spectroscopy and DFT calculations of ruthenium(II) polypyridyl complexes Sun, Qinchao; Dereka, Bogdan; Vauthey, Eric; Lawson Daku, Latevi Max; Hauser, Andreas 2017
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A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latevi Max; Shatruk, Michael 2017
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A theoretical study of the spectroscopic properties of B2H6 and of a series of BxHyz- species (x = 1-12, y = 3-14, z = 0-2): From BH3 to B12H122- Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2016
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Halide Free M(BH4)2 (M = Sr, Ba, and Eu) Synthesis, Structure, and Decomposition Sharma, Manish; Didelot, Emilie Yvonne Jeanne; Spyratou Stratmann, Alexandra; Lawson Daku, Latevi Max; ... Hagemann, Hans-Rudolf 2016
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Quantitative Spectra–Structure Relations for Borohydrides D'Anna, Vincenza; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2015
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Pd2Au36(SR)24 cluster: structure studies Zhang, Bei; Kaziz, Sameh; Li, Houhua; Wodka, Dawid; ... Barrabes Rabanal, Noëlia 2015
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Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order Canton, S. E.; Zhang, X.; Lawson Daku, Latevi Max; Liu, Y.; ... Alvarez, S. 2015
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Dynamic Jahn–Teller Effect in the Metastable High-Spin State of Solvated [Fe(terpy)2]2+ Zhang, X.; Lawson Daku, Latevi Max; Zhang, J.; Suarez-Alcantara, K.; ... Canton, S. E. 2015
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On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexes Sun, Qinchao; Mosquera Vazquez, Sandra; Suffren, Yan Jonathan Mathieu; Hankache, Jihane; ... Hauser, Andreas 2015
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Probing the Anisotropic Distortion of Photoexcited Spin Crossover Complexes with Picosecond X-ray Absorption Spectroscopy Canton, Sophie E.; Zhang, Xiaoyi; Lawson Daku, Latevi Max; Smeigh, Amanda L.; ... Sundström, Villy 2014
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Where does the Raman optical activity of [Rh(en)3]3+ come from? Insight from a combined experimental and theoretical approach Humbert-Droz, Marie; Oulevey, Patric; Lawson Daku, Latevi Max; Luber, Sandra; ... Buergi, Thomas 2014
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