Search Results - "Lawson Daku, Latévi Max" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Dipole Moment and Polarizability of Tunable Intramolecular Charge Transfer States in Heterocyclic π‑Conjugated Molecular Dyads Determined by Computational and Stark Spectroscopic Study

Dipole Moment and Polarizability of Tunable Intramolecular Charge Transfer States in Heterocyclic π‑Conjugated Molecular Dyads Determined by Computational and Stark Spectroscopic Study

by Rohwer, Egmont J, Akbarimoosavi, Maryam, Meckel, Steven E, Liu, Xunshan, Geng, Yan, Lawson Daku, Latévi Max, Hauser, Andreas, Cannizzo, Andrea, Decurtins, Silvio, Stanley, Robert J, Liu, Shi-Xia, Feurer, Thomas
Published in Journal of physical chemistry. C (03.05.2018)

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Bimetallic Borohydrides in the System M(BH4)2–KBH4 (M = Mg, Mn): On the Structural Diversity

Bimetallic Borohydrides in the System M(BH4)2–KBH4 (M = Mg, Mn): On the Structural Diversity

by Schouwink, Pascal, D’Anna, Vincenza, Ley, Morten Brix, Lawson Daku, Latévi Max, Richter, Bo, Jensen, Torben R, Hagemann, Hans, Černý, Radovan
Published in Journal of physical chemistry. C (24.05.2012)

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

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

by Baghdasaryan, Ani, Martin, Kévin, Latévi Max Lawson Daku, Maurizio Mastropasqua Talamo, Avarvari, Narcis, Bürgi, Thomas
Published in Nanoscale (01.01.2020)

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

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

by VARGAS, Alfredo, KRIVOKAPIC, Itana, HAUSER, Andreas, LAWSON DAKU, Latévi Max
Published in Physical chemistry chemical physics : PCCP (21.03.2013)

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Improving the Accuracy in the Prediction of Transition-Metal Spin-State Energetics Using a Robust Variation-Based Approach: Density Functional Theory, CASPT2 and MC-PDFT Applied to the Case Study of Tris-Diimine Fe(II) Complexes

Improving the Accuracy in the Prediction of Transition-Metal Spin-State Energetics Using a Robust Variation-Based Approach: Density Functional Theory, CASPT2 and MC-PDFT Applied to the Case Study of Tris-Diimine Fe(II) Complexes

by Paveliuc, Gheorghe, Lawson Daku, Latévi Max
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.10.2024)

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

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

by Sethio, Daniel, Daku, Latévi Max Lawson, Hagemann, Hans, Kraka, Elfi
Published in Chemphyschem (05.08.2019)

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Unidirectional Photoisomerization of Styrylpyridine for Switching the Magnetic Behavior of an Iron(II) Complex: A MLCT Pathway in Crystalline Solids

Unidirectional Photoisomerization of Styrylpyridine for Switching the Magnetic Behavior of an Iron(II) Complex: A MLCT Pathway in Crystalline Solids

by Tissot, Antoine, Boillot, Marie-Laure, Pillet, Sébastien, Codjovi, Epiphane, Boukheddaden, Kamel, Lawson Daku, Latévi Max
Published in Journal of physical chemistry. C (16.12.2010)

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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

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

by Doistau, Benjamin, Jiménez, Juan-Ramón, Lawson Daku, Latévi Max, Piguet, Claude
Published in Inorganic chemistry (25.07.2022)

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

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

by Shen, Yuwei, Woodburn, Johanna, Bouras, Soraya, Dai, Shan, Dovgaliuk, Iurii, Grenèche, Jean-Marc, Patriarche, Gilles, Lawson Daku, Latévi Max, Serre, Christian, Tissot, Antoine
Published in Chemistry of materials (24.01.2023)

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On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexes

On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexes

by Sun, Qinchao, Mosquera-Vazquez, Sandra, Suffren, Yan, Hankache, Jihane, Amstutz, Nahid, Lawson Daku, Latévi Max, Vauthey, Eric, Hauser, Andreas
Published in Coordination chemistry reviews (01.01.2015)

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Combining electron transfer, spin crossover, and redox properties in metal-organic frameworks

Combining electron transfer, spin crossover, and redox properties in metal-organic frameworks

by Getzner, Livia, Paliwoda, Damian, Vendier, Laure, Lawson-Daku, Latévi Max, Rotaru, Aurelian, Molnár, Gábor, Cobo, Saioa, Bousseksou, Azzedine
Published in Nature communications (21.08.2024)

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

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

by Zhang, Jianxin, Zhang, Xiaoyi, Suarez-Alcantara, Karina, Jennings, Guy, Kurtz, Charles A, Lawson Daku, Latévi Max, Canton, Sophie E
Published in ACS omega (30.04.2019)

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Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10− and CB11H12

Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10− and CB11H12

by Sethio, Daniel, Lawson Daku, Latévi Max, Hagemann, Hans
Published in International journal of hydrogen energy (31.08.2017)

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

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

by Sethio, Daniel, Martins, João B. L, Lawson Daku, Latévi Max, Hagemann, Hans, Kraka, Elfi
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.02.2020)

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Ab Initio Molecular Dynamics Study of an Aqueous Solution of [Fe(bpy)3](Cl)2 in the Low-Spin and in the High-Spin States

Ab Initio Molecular Dynamics Study of an Aqueous Solution of [Fe(bpy)3](Cl)2 in the Low-Spin and in the High-Spin States

by Lawson Daku, Latévi Max, Hauser, Andreas
Published in The journal of physical chemistry letters (17.06.2010)

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Quantitative Spectra–Structure Relations for Borohydrides

Quantitative Spectra–Structure Relations for Borohydrides

by D’Anna, Vincenza, Lawson Daku, Latévi Max, Hagemann, Hans
Published in Journal of physical chemistry. C (24.09.2015)

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Correlating Boron–Hydrogen Stretching Frequencies with Boron–Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations

Correlating Boron–Hydrogen Stretching Frequencies with Boron–Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations

by Hagemann, Hans, Sharma, Manish, Sethio, Daniel, Lawson Daku, Latévi Max
Published in Helvetica chimica acta (01.02.2018)

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Investigation of the Influence of Solute−Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in Liquids

Investigation of the Influence of Solute−Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in Liquids

by Pigliucci, Anatolio, Duvanel, Guillaume, Daku, Latévi Max Lawson, Vauthey, Eric
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.07.2007)

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Intramolecular Charge‐Transfer Dynamics in Benzodifuran‐Based Triads

Intramolecular Charge‐Transfer Dynamics in Benzodifuran‐Based Triads

by Keller, Stephan, Hankache, Jihane, Yushchenko, Oleksandr, Lawson Daku, Latévi Max, Sun, Qinchao, Ding, Jie, Decurtins, Silvio, Vauthey, Eric, Häner, Robert, Hauser, Andreas, Liu, Shi‐Xia
Published in Helvetica chimica acta (01.09.2021)

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Structure and spin of the low- and high-spin states of Fe2+(phen)3 studied by x-ray scattering and emission spectroscopy

Structure and spin of the low- and high-spin states of Fe2+(phen)3 studied by x-ray scattering and emission spectroscopy

by Kabanova, Victoria, Sander, Mathias, Levantino, Matteo, Kong, Qingyu, Canton, Sophie, Retegan, Marius, Cammarata, Marco, Lenzen, Philipp, Lawson, Latévi Max Daku, Wulff, Michael
Published in Structural dynamics (Melville, N.Y.) (01.09.2024)

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