Molecular Electronics Recent Publications
2021
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Molecular oxofluorides OMFof nickel, palladium and platinum: oxyl radicals with moderate ligand field inversion
Li, L.; Beckers, H.; Stüker, T.; Lindič, T.; Schlöder, T.; Andrae, D.; Riedel, S.
2021. Inorganic chemistry frontiers, 8 (5), 1215–1228. doi:10.1039/D0QI01151G -
Sublimable Spin Crossover Complexes: From Spin-State Switching to Molecular Devices
Ruben, M.; Kumar, K. S.
2021. Angewandte Chemie / International edition, 60 (14), 7502–7521. doi:10.1002/ANIE.201911256
2020
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Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
Krenn, M.; Häse, F.; Nigam, A.; Friederich, P.; Aspuru-Guzik, A.
2020. Machine learning: science and technology, 1 (4), Art.-Nr.: 045024. doi:10.1088/2632-2153/aba947 -
Unprecedented one-dimensional chain and two-dimensional network dysprosium(III) single-molecule toroics with white-light emission
Zhong, L.; Chen, W.-B.; OuYang, Z.-J.; Yang, M.; Zhang, Y.-Q.; Gao, S.; Schulze, M.; Wernsdorfer, W.; Dong, W.
2020. Chemical communications, 56 (17), 2590–2593. doi:10.1039/c9cc08852k -
Boosting Light Emission from Single Hydrogen Phthalocyanine Molecules by Charging
Rai, V.; Gerhard, L.; Sun, Q.; Holzer, C.; Repän, T.; Krstić, M.; Yang, L.; Wegener, M.; Rockstuhl, C.; Wulfhekel, W.
2020. Nano letters, 20 (10), 7600–7605. doi:10.1021/acs.nanolett.0c03121 -
Dual switchable molecular tweezers incorporating anisotropic Mn–salphen complexes
Doistau, B.; Benda, L.; Cantin, J.-L.; Cador, O.; Pointillart, F.; Wernsdorfer, W.; Chamoreau, L.-M.; Marvaud, V.; Hasenknopf, B.; Vives, G.
2020. Dalton transactions, 49 (26), 8872–8882. doi:10.1039/d0dt01465f -
Inorganic Approach to Stabilizing Nanoscale Toroidicity in a Tetraicosanuclear FeDy Single Molecule Magnet
Kaemmerer, H.; Baniodeh, A.; Peng, Y.; Moreno-Pineda, E.; Schulze, M.; Anson, C. E.; Wernsdorfer, W.; Schnack, J.; Powell, A. K.
2020. Journal of the American Chemical Society, 142 (35), 14838–14842. doi:10.1021/jacs.0c07168 -
Alkyne-Monofunctionalized Gold Nanoparticles as Massive Molecular Building Blocks
Peters, E. H.; Mayor, M.
2020. European journal of inorganic chemistry, 24, 2325–2334. doi:10.1002/ejic.202000273 -
Exploring the Vibrational Side of Spin‐Phonon Coupling in Single‐Molecule Magnets via 161Dy Nuclear Resonance Vibrational Spectroscopy
Scherthan, L.; Pfleger, R. F.; Auerbach, H.; Hochdörffer, T.; Wolny, J. A.; Bi, W.; Zhao, J.; Hu, M. Y.; Alp, E. E.; Anson, C. E.; Diller, R.; Powell, A. K.; Schünemann, V.
2020. Angewandte Chemie / International edition, 59 (23), 8818–8822. doi:10.1002/anie.201914728 -
Correction to: A Single-Molecule Magnet Tetranuclear [Mn3IIIMnIVO3Cl] Complex with Bis(diisopropylphosphinyl)imide Ligands
Cheung, W.-M.; Zhang, Q.-F.; Clérac, R.; Hewitt, I. J.; Anson, C. E.; Powell, A. K.; Wernsdorfer, W.; Williams, I. D.; Leung, W.-H.
2020. Journal of cluster science, 31 (1), 293–300. doi:10.1007/s10876-019-01693-7 -
Frequency-comb spectroscopy on pure quantum states of a single molecular ion
Chou, C. W.; Collopy, A. L.; Kurz, C.; Lin, Y.; Harding, M. E.; Plessow, P. N.; Fortier, T.; Diddams, S.; Leibfried, D.; Leibrandt, D. R.
2020. Science, 367 (6485), 1458–1461. doi:10.1126/science.aba3628 -
Spin-crossover in iron(II)-phenylene ethynylene-2,6-di(pyrazol-1-yl) pyridine hybrids: Toward switchable molecular wire-like architectures
Kumar, K. S.; Šalitroš, I.; Heinrich, B.; Moldovan, S.; Mauro, M.; Ruben, M.
2020. Journal of physics / Condensed matter, 32 (20), 204002. doi:10.1088/1361-648X/ab6cc2 -
Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes
Basher, A. H.; Krstić, M.; Takeuchi, T.; Isobe, M.; Ito, T.; Kiuchi, M.; Karahashi, K.; Wenzel, W.; Hamaguchi, S.
2020. Journal of vacuum science & technology / A, 38 (2), Article: 022610. doi:10.1116/1.5127532 -
Electron–Phonon Coupling in Current-Driven Single-Molecule Junctions
Bi, H.; Palma, C.-A.; Gong, Y.; Stallhofer, K.; Nuber, M.; Jing, C.; Meggendorfer, F.; Wen, S.; Yam, C.; Kienberger, R.; Elbing, M.; Mayor, M.; Iglev, H.; Barth, J. V.; Reichert, J.
2020. Journal of the American Chemical Society, 142 (7), 3384–3391. doi:10.1021/jacs.9b07757 -
Chirality Sensing of Terpenes, Steroids, Amino Acids, Peptides and Drugs with Acyclic Cucurbit[n]urils and Molecular Tweezers
Prabodh, A.; Bauer, D.; Kubik, S.; Rebmann, P.; Klärner, F.-G.; Schrader, T.; Delarue Bizzini, L.; Mayor, M.; Biedermann, F.
2020. Chemical communications, 56, 4652–4655. doi:10.1039/D0CC00707B
2019
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Screening the 4f-electron spin of TbPc₂ single-molecule magnets on metal substrates by ligand channeling
Barhoumi, R.; Amokrane, A.; Klyatskaya, S.; Boero, M.; Ruben, M.; Bucher, J.-P.
2019. Nanoscale, 11 (44), 21167–21179. doi:10.1039/C9NR05873G -
A new member of a class of rod-like Mn single molecule magnets using 2-(pyridine-2-ly)propan-2-ol
Yang, E.-C.; Huang, S.-Y.; Wernsdorfer, W.; Hong, L.-X.; Damjanovic, M.; Niekamp, L.; Lee, G.-H.
2019. RSC Advances, 9 (65), 37740–37746. doi:10.1039/c9ra06280g -
Influence of ligand substitution on magnetic hyperfine interaction in Dy-based single-molecule magnets/toroics
Scherthan, L.; Ruppert, T.; Peng, Y.; Baniodeh, A.; Auerbach, H.; Hochdörffer, T.; Wolny, J. A.; Bi, W.; Zhao, J.; Hu, M. Y.; Toellner, T. S.; Alp, E. E.; Brown, D. E.; Anson, C. E.; Powell, A. K.; Schünemann, V.
2019. Hyperfine interactions, 240 (1), Art.-Nr.: 124. doi:10.1007/s10751-019-1669-5 -
Dysprosium Single-Molecule Magnets with Bulky Schiff Base Ligands: Modification of the Slow Relaxation of the Magnetization by Substituent Change
Long, J.; Basalov, I. V.; Forosenko, N. V.; Lyssenko, K. A.; Mamontova, E.; Cherkasov, A. V.; Damjanović, M.; Chibotaru, L. F.; Guari, Y.; Larionova, J.; Trifonov, A. A.
2019. Chemistry - a European journal, 25 (2), 474–478. doi:10.1002/chem.201804429 -
Probabilistic mapping of single molecule junction configurations as a tool to achieve the desired geometry of asymmetric tripodal molecules
Kolivoška, V.; Šebera, J.; Sebechlebská, T.; Lindner, M.; Gasior, J.; Mészáros, G.; Mayor, M.; Valášek, M.; Hromadová, M.
2019. Chemical communications, 55 (23), 3351–3354. doi:10.1039/c8cc09681c -
Understanding the Superior Stability of Single‐Molecule Magnets on an Oxide Film
Studniarek, M.; Wäckerlin, C.; Singha, A.; Baltic, R.; Diller, K.; Donati, F.; Rusponi, S.; Brune, H.; Lan, Y.; Klyatskaya, S.; Ruben, M.; Seitsonen, A. P.; Dreiser, J.
2019. Advanced science, 6 (22), Article: 1901736. doi:10.1002/advs.201901736 -
A family of planar hexanuclear CoIII4LnIII2 clusters with lucanidae-like arrangement and single-molecule magnet behavior
Li, Q.; Peng, Y.; Qian, J.; Yan, T.; Du, L.; Zhao, Q.
2019. Dalton transactions, 48 (34), 12880–12887. doi:10.1039/c9dt02103e -
Quantum superposition of molecules beyond 25 kDa
Fein, Y. Y.; Geyer, P.; Zwick, P.; Kiałka, F.; Pedalino, S.; Mayor, M.; Gerlich, S.; Arndt, M.
2019. Nature physics, 15 (12), 1242–1245. doi:10.1038/s41567-019-0663-9 -
From the loom to the laboratory: Molecular textiles
Di Silvestro, A.; Mayor, M.
2019. Chimia, 73 (6), 455–461. doi:10.2533/chimia.2019.455 -
Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design
Šebera, J.; Lindner, M.; Gasior, J.; Mészáros, G.; Fuhr, O.; Mayor, M.; Valášek, M.; Kolivoška, V.; Hromadová, M.
2019. Nanoscale, 11 (27), 12959–12964. doi:10.1039/c9nr04071d -
Effects of the Molecular Design on the Supramolecular Organization of Luminescent Pt(II) Complexes
Aliprandi, A.; Capaldo, L.; Bobica, C.; Silvestrini, S.; De Cola, L.
2019. Israel journal of chemistry, 59 (10), 892–897. doi:10.1002/ijch.201900047 -
Decoherence measurements in crystals of molecular magnets
Taran, G.; Bonet, E.; Wernsdorfer, W.
2019. Physical review / B, 99 (18), 180408. doi:10.1103/PhysRevB.99.180408 -
Enhanced Separation Concept (ESC): Removing the Functional Subunit from the Electrode by Molecular Design
Brandl, T.; El Abbassi, M.; Stefani, D.; Frisenda, R.; Harzmann, G. D.; Van der Zant, H. S. J.; Mayor, M.
2019. European journal of organic chemistry, (31/32), SI. doi:10.1002/ejoc.201900432 -
Boosting axiality in stable high-coordinate Dy(III) single-molecule magnets
Canaj, A. B.; Singh, M. K.; Regincós Marti, E.; Damjanović, M.; Wilson, C.; Céspedes, O.; Wernsdorfer, W.; Rajaraman, G.; Murrie, M.
2019. Chemical communications, 55 (42), 5950–5953. doi:10.1039/c9cc00965e -
Quantum tunnelling of the magnetisation in single-molecule magnet isotopologue dimers
Moreno-Pineda, E.; Taran, G.; Wernsdorfer, W.; Ruben, M.
2019. Chemical science, 10 (19), 5138–5145. doi:10.1039/c9sc01062a -
Six state molecular revolver mounted on a rigid platform
Homberg, J.; Lindner, M.; Gerhard, L.; Edelmann, K.; Frauhammer, T.; Nahas, Y.; Valášek, M.; Mayor, M.; Wulfhekel, W.
2019. Nanoscale, 11 (18), 9015–9022. doi:10.1039/c9nr00259f -
Molecular Ansa-Basket: Synthesis of Inherently Chiral All-Carbon [12](1,6)Pyrenophane
Mannancherry, R.; Devereux, M.; Häussinger, D.; Mayor, M.
2019. The journal of organic chemistry, 84 (9), 5271–5276. doi:10.1021/acs.joc.9b00255 -
The role of the quadrupolar interaction in the tunneling dynamics of lanthanide molecular magnets
Taran, G.; Bonet, E.; Wernsdorfer, W.
2019. Journal of applied physics, 125 (14), 142903. doi:10.1063/1.5079453 -
Synthetic Hilbert Space Engineering of Molecular Qudits: Isotopologue Chemistry
Wernsdorfer, W.; Ruben, M.
2019. Advanced materials, 31 (26), Art,-Nr.: 1806687. doi:10.1002/adma.201806687 -
Size Matters: From Two-Dimensional Au –Tl Metallopolymers to Molecular Complexes by Simple Variation of the Steric Demand
Seifert, T. P.; Knoefel, N. D.; Feuerstein, T. J.; Reiter, K.; Lebedkin, S.; Gamer, M. T.; Boukis, A. C.; Weigend, F.; Kappes, M. M.; Roesky, P. W.
2019. Chemistry - a European journal, 25 (15), 3799–3808. doi:10.1002/chem.201805984 -
In-situ formation of one-dimensional coordination polymers in molecular junctions
Vladyka, A.; Perrin, M. L.; Overbeck, J.; Ferradás, R. R.; García-Suárez, V.; Gantenbein, M.; Brunner, J.; Mayor, M.; Ferrer, J.; Calame, M.
2019. Nature Communications, 10 (1), Article no 262. doi:10.1038/s41467-018-08025-9 -
Host dependence of the electron affinity of molecular dopants
Li, J.; Duchemin, I.; Roscioni, O. M.; Friederich, P.; Anderson, M.; Da Como, E.; Kociok-Köhn, G.; Wenzel, W.; Zannoni, C.; Beljonne, D.; Blase, X.; D’Avino, G.
2019. Materials Horizons, 6 (1), 107–114. doi:10.1039/c8mh00921j -
¹⁶¹Dy Time-Domain Synchrotron Mössbauer Spectroscopy for Investigating Single-Molecule Magnets Incorporating Dy Ions
Scherthan, L.; Schmidt, S. F. M.; Auerbach, H.; Hochdörffer, T.; Wolny, J. A.; Bi, W.; Zhao, J.; Hu, M. Y.; Toellner, T.; Alp, E. E.; Brown, D. E.; Anson, C. E.; Powell, A. K.; Schünemann, V.
2019. Angewandte Chemie / International edition, 58 (11), 3444–3449. doi:10.1002/anie.201810505
2018
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Anomalous diffusion of water molecules at grain boundaries in ice I
Moreira, P. A. F. P.; Veiga, R. G. de A.; Ribeiro, I. de A.; Freitas, R.; Helfferich, J.; Koning, M. de
2018. Physical chemistry, chemical physics, 20 (20), 13944–13951. doi:10.1039/c8cp00933c -
Tetranuclear Dysprosium(III) Quintuple-Decker Single-Molecule Magnet Prepared Using a π-Extended Phthalocyaninato Ligand with Two Coordination Sites
Katoh, K.; Morita, T.; Yasuda, N.; Wernsdorfer, W.; Kitagawa, Y.; Breedlove, B. K.; Yamashita, M.
2018. Chemistry - a European journal, 24 (58), 15522–15528. doi:10.1002/chem.201804100 -
High spin cycles: topping the spin record for a single molecule verging on quantum criticality
Baniodeh, A.; Magnani, N.; Lan, Y.; Buth, G.; Anson, C. E.; Richter, J.; Affronte, M.; Schnack, J.; Powell, A. K.
2018. npj quantum materials, 3 (1), Article No.10. doi:10.1038/s41535-018-0082-7 -
Magnetization Blocking in FeDy Molecular Magnets: Ab Initio Calculations and EPR Spectroscopy
Vieru, V.; Ungur, L.; Cemortan, V.; Sukhanov, A.; Baniodeh, A.; Anson, C. E.; Powell, A. K.; Voronkova, V.; Chibotaru, L. F.
2018. Chemistry - a European journal, 24 (62), 16652–16661. doi:10.1002/chem.201803821 -
Supramolecular Interaction Tuning of Spin‐Crossover in Pyrene/Fullerene (C) Tethered Fe‐2,6‐Di(pyrazol‐1‐yl)pyridine Complexes: Towards Switchable Molecular Devices
Kumar, K. S.; Šalitroš, I.; Suryadevara, N.; Moreno-Pineda, E.; Ruben, M.
2018. European journal of inorganic chemistry, 2018 (47), 5091–5097. doi:10.1002/ejic.201801109 -
Linking Electronic Transport through a Spin Crossover Thin Film to the Molecular Spin State Using X-ray Absorption Spectroscopy Operando Techniques
Schleicher, F.; Studniarek, M.; Kumar, K. S.; Urbain, E.; Katcko, K.; Chen, J.; Frauhammer, T.; Hervé, M.; Halisdemir, U.; Kandpal, L. M.; Lacour, D.; Riminucci, A.; Joly, L.; Scheurer, F.; Gobaut, B.; Choueikani, F.; Otero, E.; Ohresser, P.; Arabski, J.; Schmerber, G.; Wulfhekel, W.; Beaurepaire, E.; Weber, W.; Boukari, S.; Ruben, M.; Bowen, M.
2018. ACS applied materials & interfaces, 10 (37), 31580–31585. doi:10.1021/acsami.8b11495 -
Large Conductance Variations in a Mechanosensitive Single-Molecule Junction
Stefani, D.; Weiland, K. J.; Skripnik, M.; Hsu, C.; Perrin, M. L.; Mayor, M.; Pauly, F.; Van Der Zant, H. S. J.
2018. Nano letters, 18 (9), 5981–5988. doi:10.1021/acs.nanolett.8b02810 -
Bethe–Salpeter correlation energies of atoms and molecules
Holzer, C.; Gui, X.; Harding, M. E.; Kresse, G.; Helgaker, T.; Klopper, W.
2018. The journal of chemical physics, 149 (14), Art. Nr.: 144106. doi:10.1063/1.5047030 -
Observation of Cooperative Electronic Quantum Tunneling: Increasing Accessible Nuclear States in a Molecular Qudit
Moreno-Pineda, E.; Klyatskaya, S.; Du, P.; Damjanovic, M.; Taran, G.; Wernsdorfer, W.; Ruben, M.
2018. Inorganic chemistry, 57 (16), 9873–9879. doi:10.1021/acs.inorgchem.8b00823 -
On-surface structural and electronic properties of spontaneously formed Tb2Pc3 single molecule magnets
Hellerstedt, J.; Cahlík, A.; Švec, M.; De La Torre, B.; Moro-Lagares, M.; Chutora, T.; Papoušková, B.; Zoppellaro, G.; Mutombo, P.; Ruben, M.; Zbořil, R.; Jelinek, P.
2018. Nanoscale, 10 (33), 15553–15563. doi:10.1039/c8nr04215b -
A highly flexible molecule: The peculiar case of ethynyl isothiocyanate HCCNCS
Sun, W.; Davis, R. L.; Thorwirth, S.; Harding, M. E.; Wijngaarden, J. van
2018. The journal of chemical physics, 149 (10), Article: 104304. doi:10.1063/1.5048411 -
Metallic nanoparticle contacts for high-yield, ambient-stable molecular-monolayer devices
Puebla-Hellmann, G.; Venkatesan, K.; Mayor, M.; Lörtscher, E.
2018. Nature <London>, 559 (7713), 232–235. doi:10.1038/s41586-018-0275-z -
The Effect of Modifying the Macrocyclic Ring Size on Zn3Ln (Ln = Dy, Er, and Yb) Single-Molecule Magnet Behavior
Feltham, H. L. C.; Clérac, R.; Peng, Y.; Moreno-Pineda, E.; Powell, A. K.; Brooker, S.
2018. Zeitschrift für anorganische und allgemeine Chemie, 644 (14), 775–779. doi:10.1002/zaac.201800155 -
Molecular dynamic staircases: all-carbon axial chiral “Geländer” structures
Mannancherry, R.; Rickhaus, M.; Häussinger, D.; Prescimone, A.; Mayor, M.
2018. Chemical science, 9 (26), 5758–5766. doi:10.1039/C8SC01707G -
Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement
Morita, T.; Damjanović, M.; Katoh, K.; Kitagawa, Y.; Yasuda, N.; Lan, Y.; Wernsdorfer, W.; Breedlove, B. K.; Enders, M.; Yamashita, M.
2018. Journal of the American Chemical Society, 140 (8), 2995–3007. doi:10.1021/jacs.7b12667 -
Supramolecular Approach for Enhancing Single-Molecule Magnet Properties of Terbium(III)-Phthalocyaninato Double-Decker Complexes with Crown Moieties
Horii, Y.; Kishiue, S.; Damjanović, M.; Katoh, K.; Breedlove, B. K.; Enders, M.; Yamashita, M.
2018. Chemistry - a European journal, 24 (17), 4320–4327. doi:10.1002/chem.201705378 -
Machine learning of correlated dihedral potentials for atomistic molecular force fields
Friederich, P.; Konrad, M.; Strunk, T.; Wenzel, W.
2018. Scientific reports, 8 (1), Art.Nr. 2559. doi:10.1038/s41598-018-21070-0 -
Spin-state dependent conductance switching in single molecule-graphene junctions
Burzurí, E.; García-Fuente, A.; García-Suárez, V.; Senthil Kumar, K.; Ruben, M.; Ferrer, J.; Zant, H. S. J. van der
2018. Nanoscale, 10 (17), 7905–7911. doi:10.1039/C8NR00261D -
Opposite Surface and Bulk Solvatochromic Effects in a Molecular Spin-Crossover Compound Revealed by Ambient Pressure X-ray Absorption Spectroscopy
Borgatti, F.; Torelli, P.; Brucale, M.; Gentili, D.; Panaccione, G.; Castan Guerrero, C.; Schäfer, B.; Ruben, M.; Cavallini, M.
2018. Langmuir, 34 (12), 3604–3609. doi:10.1021/acs.langmuir.8b00028 -
Engineering On-Surface Spin Crossover : Spin-State Switching in a Self-Assembled Film of Vacuum-Sublimable Functional Molecule
Kumar, K. S.; Studniarek, M.; Heinrich, B.; Arabski, J.; Schmerber, G.; Bowen, M.; Boukari, S.; Beaurepaire, E.; Dreiser, J.; Ruben, M.
2018. Advanced materials, 30 (11), Art.Nr. 1705416. doi:10.1002/adma.201705416 -
Equilibrium molecular structures of vinyl carbon chains: Vinyl acetylene, vinyl diacetylene, and vinyl cyanide
Thorwirth, S.; Harding, M. E.; Dudek, J. B.; McCarthy, M. C.
2018. Journal of molecular spectroscopy, 350, 10–17. doi:10.1016/j.jms.2018.05.001 -
Gas-Phase Ion Chemistry of Metalloporphyrin Anions with Molecular Oxygen: Probing the Influence of the Oxidation and Spin State of the Central Transition Metal by Experiment and Theory
Archipov, T.; Kirkland, J. K.; Vogiatzis, K. D.; Steiner, A.; Niedner-Schatteburg, G.; Weis, P.; Fink, K.; Hampe, O.; Kappes, M. M.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (17), 4357–4365. doi:10.1021/acs.jpca.8b01715 -
Multicomponent reactions provide key molecules for secret communication
Boukis, A. C.; Reiter, K.; Froelich, M.; Hofheinz, D.; Meier, M. A. R.
2018. Nature Communications, 9, Article no 1439. doi:10.1038/s41467-018-03784-x -
Voltage-Driven Conformational Switching with Distinct Raman Signature in a Single-Molecule Junction
Bi, H.; Palma, C. A.; Gong, Y.; Hasch, P.; Elbing, M.; Mayor, M.; Reichert, J.; Barth, J. V.
2018. Journal of the American Chemical Society, 140 (14), 4835–4840. doi:10.1021/jacs.7b12818 -
Isotope-selective high-order interferometry with large organic molecules in free fall
Rodewald, J.; Dörre, N.; Grimaldi, A.; Geyer, P.; Felix, L.; Mayor, M.; Shayeghi, A.; Arndt, M.
2018. New journal of physics, 20 (3), Art.Nr.: 033016. doi:10.1088/1367-2630/aaade2 -
Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe₇Ln₄ single molecule magnets
Prodius, D.; Mereacre, V.; Singh, P.; Lan, Y.; Mameri, S.; Johnson, D. D.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2018. Journal of materials chemistry / C, 6 (11), 2862–2872. doi:10.1039/c8tc00322j -
Molecular spin qudits for quantum algorithms
Moreno-Pineda, E.; Godfrin, C.; Balestro, F.; Wernsdorfer, W.; Ruben, M.
2018. Chemical Society reviews, 47 (2), 501–513. doi:10.1039/C5CS00933B -
Optimized auxiliary basis sets for density fitted post-Hartree-Fock calculations of lanthanide containing molecules
Chmela, J.; Harding, M. E.
2018. Molecular physics, 116 (12), 1523–1538. doi:10.1080/00268976.2018.1433336 -
Full quantum treatment of charge dynamics in amorphous molecular semiconductors
Vries, X. de; Friederich, P.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
2018. Physical review / B, 97 (7), Art.Nr. 075203. doi:10.1103/PhysRevB.97.075203 -
Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films
Friederich, P.; Rodin, V.; Wrochem, F. von; Wenzel, W.
2018. ACS applied materials & interfaces, 10 (2), 1881–1887. doi:10.1021/acsami.7b11762 -
The multi-state energy landscape of the SAM-I riboswitch : A single-molecule Förster resonance energy transfer spectroscopy study
Manz, C.; Kobitski, A. Y.; Samanta, A.; Jäschke, A.; Nienhaus, G. U.
2018. The journal of chemical physics, 148 (12), Art.Nr. 123324. doi:10.1063/1.5003783 -
Probing magnetic coupling between LnPc₂ (Ln = Tb, Er) molecules and the graphene/Ni (111) substrate with and without Au-intercalation : Role of the dipolar field
Corradini, V.; Candini, A.; Klar, D.; Biagi, R.; Renzi, V. D.; Lodi Rizzini, A.; Cavani, N.; Pennino, U. D.; Klyatskaya, S. V.; Ruben, M.; Velez-Fort, E.; Kummer, K.; Brookes, N. B.; Gargiani, P.; Wende, H.; Affronte, M.
2018. Nanoscale, 10 (1), 277–283. doi:10.1039/c7nr06610d
2017
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Investigation of the geometrical arrangement and single molecule charge transport in self-assembled monolayers of molecular towers based on tetraphenylmethane tripod
Sebechlebská, T.; Šebera, J.; Kolivoška, V.; Lindner, M.; Gasior, J.; Mészáros, G.; Valášek, M.; Mayor, M.; Hromadová, M.
2017. Electrochimica acta, 258, 1191–1200. doi:10.1016/j.electacta.2017.11.174 -
Controlled Dimerization of Mn₁₂ Single-Molecule Magnets
Jenkins, T. A.; Garnero, M.; Corrales, S. A.; Williams, E. R.; Mowson, A. M.; Ozarowski, A.; Wernsdorfer, W.; Christou, G.; Lampropoulos, C.
2017. Inorganic chemistry, 56 (24), 14755–14758. doi:10.1021/acs.inorgchem.7b02640 -
Operating Quantum States in Single Magnetic Molecules: Implementation of Grover’s Quantum Algorithm
Godfrin, C.; Ferhat, A.; Ballou, R.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.; Balestro, F.
2017. Physical review letters, 119 (18), Art. Nr.: 187702. doi:10.1103/PhysRevLett.119.187702 -
Transition Metal Single-Molecule Magnets : A {Mn} Nanosized Cluster with a Large Energy Barrier of ~60 K and Magnetic Hysteresis at ~5 K
Abbasi, P.; Quinn, K.; Alexandropoulos, D. I.; Damjanović, M.; Wernsdorfer, W.; Escuer, A.; Mayans, J.; Pilkington, M.; Stamatatos, T. C.
2017. Journal of the American Chemical Society, 139 (44), 15644–15647. doi:10.1021/jacs.7b10130 -
Molecular origin of the anisotropic dye orientation in emissive layers of organic light emitting diodes
Friederich, P.; Coehoorn, R.; Wenzel, W.
2017. Chemistry of materials, 29 (21), 9528–9535. doi:10.1021/acs.chemmater.7b03742 -
Spatial and Lateral Control of Functionality by Rigid Molecular Platforms
Valášek, M.; Mayor, M.
2017. Chemistry - a European journal, 23 (55), 13538–13548. doi:10.1002/chem.201703349 -
Synthesis and Optical Properties of [CuE(SnPh)(PPhEt)] (E = S, Se, Te) Cluster Molecules
Eichhöfer, A.; Kühn, M.; Lebedkin, S.; Kehry, M.; Kappes, M. M.; Weigend, F.
2017. Inorganic chemistry, 56 (15), 9330–9336. doi:10.1021/acs.inorgchem.7b01495 -
Spacer type mediated tunable spin crossover (SCO) characteristics of pyrene decorated 2,6-bis(pyrazol-1-yl)pyridine (bpp) based Fe(II) molecular spintronic modules
Kumar, K. S.; Šalitroš, I.; Moreno-Pineda, E.; Ruben, M.
2017. Dalton transactions, 46 (30), 9765–9768. doi:10.1039/c7dt02219k -
Giant Magnetoresistance in Carbon Nanotubes with Single-Molecule Magnets TbPc₂
Krainov, I. V.; Klier, J.; Dmitriev, A. P.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.; Gornyi, I. V.
2017. ACS nano, 11 (7), 6868–6880. doi:10.1021/acsnano.7b02014 -
Tuning Charge Transport Properties of Asymmetric Molecular Junctions
Šebera, J.; Kolivoška, V.; Valášek, M.; Gasior, J.; Sokolová, R.; Mészáros, G.; Hong, W.; Mayor, M.; Hromadová, M.
2017. The journal of physical chemistry <Washington, DC> / C, 121 (23), 12885–12894. doi:10.1021/acs.jpcc.7b01105 -
Landau-Zener Transition in a Continuously Measured Single-Molecule Spin Transistor
Troiani, F.; Godfrin, C.; Thiele, S.; Balestro, F.; Wernsdorfer, W.; Klyatskaya, S.; Ruben, M.; Affronte, M.
2017. Physical review letters, 118 (25), Art. Nr.: 257701. doi:10.1103/PhysRevLett.118.257701 -
A Molecular Turnstile as an E-Field-Triggered Single-Molecule Switch: Concept and Synthesis
Le Pleux, L.; Kapatsina, E.; Hildesheim, J.; Häussinger, D.; Mayor, M.
2017. European journal of organic chemistry, 2017 (22), 3165–3178. doi:10.1002/ejoc.201700318 -
Molecular Graph Paper
Lindner, M.; Valášek, M.; Mayor, M.; Frauhammer, T.; Wulfhekel, W.; Gerhard, L.
2017. Angewandte Chemie / International edition, 56 (28), 8290–8294. doi:10.1002/anie.201703586 -
Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study
Massé, A.; Friederich, P.; Symalla, F.; Liu, F.; Meded, V.; Coehoorn, R.; Wenzel, W.; Bobbert, P. A.
2017. Physical review / B, 95 (11), Art. Nr.: 115204. doi:10.1103/PhysRevB.95.115204 -
The role of coordinated solvent on Co(II) ions in tuning the single molecule magnet properties in a {CoII2DyIII2} system
Peng, Y.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2017. Dalton transactions, 46 (16), 5337–5343. doi:10.1039/C7DT00548B -
A family of ’windmill’-like {Cu6Ln12} complexes exhibiting single-molecule magnetism behavior and large magnetic entropy changes
Alexandropoulos, D. I.; Poole, K. M.; Cunha-Silva, L.; Ahmad Sheikh, J.; Wernsdorfer, W.; Christou, G.; Stamatatos, T. C.
2017. Chemical communications, 53 (30), 4266–4269. doi:10.1039/c7cc01382e -
Hybrid molecular-inorganic materials: A heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles
Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C.
2017. Inorganic chemistry frontiers, 4 (4), 595–603. doi:10.1039/c6qi00468g -
An electrically actuated molecular toggle switch
Gerhard, L.; Edelmann, K.; Homberg, J.; Valášek, M.; Bahoosh, S. G.; Lukas, M.; Pauly, F.; Mayor, M.; Wulfhekel, W.
2017. Nature Communications, 8, 14672. doi:10.1038/ncomms14672 -
Single-molecule magnet behaviour in a tetranuclear DyIII complex formed from a novel tetrazine-centered hydrazone Schiff base ligand
Lacelle, T.; Brunet, G.; Pialat, A.; Holmberg, R. J.; Lan, Y.; Gabidullin, B.; Korobkov, I.; Wernsdorfer, W.; Murugesu, M.
2017. Dalton transactions, 46 (8), 2471–2478. doi:10.1039/c6dt04413a -
Selective photodissociation of tailored molecular tags as a tool for quantum optics
Sezer, U.; Geyer, P.; Kriegleder, M.; Debiossac, M.; Shayeghi, A.; Arndt, M.; Felix, L.; Mayor, M.
2017. Beilstein journal of nanotechnology, 8 (1), 325–333. doi:10.3762/bjnano.8.35 -
Molecular weaving via surface-templated epitaxy of crystalline coordination networks
Wang, Z.; Blaszczyk, A.; Fuhr, O.; Heissler, S.; Wöll, C.; Mayor, M.
2017. Nature Communications, 8, 14442. doi:10.1038/ncomms14442 -
Single-Molecule Magnets: Giant Hysteresis of Single-Molecule Magnets Adsorbed on a Nonmagnetic Insulator (Adv. Mater. 26/2016)
Wäckerlin, C.; Donati, F.; Singha, A.; Baltic, R.; Rusponi, S.; Diller, K.; Patthey, F.; Pivetta, M.; Lan, Y.; Klyatskaya, S.; Ruben, M.; Brune, H.; Dreiser, J.
2017. Advanced materials, 28 (26), 5142. doi:10.1002/adma.201670180 -
Vibrational circular dichroism spectra for large molecules and molecules with heavy elements
Reiter, K.; Kühn, M.; Weigend, F.
2017. The journal of chemical physics, 146 (5), Art. Nr.: 054102. doi:10.1063/1.4974897 -
Generalized Born Implicit Solvent Models for Small Molecule Hydration Free Energies
Brieg, M.; Setzler, J.; Albert, S.; Wenzel, W.
2017. Physical chemistry, chemical physics, 19, 1677–1685. doi:10.1039/C6CP07347F -
Exchange-bias quantum tunnelling in a CO₂-based Dy₄-single molecule magnet
Pineda, E. M.; Lan, Y.; Fuhr, O.; Wernsdorfer, W.; Ruben, M.
2017. Chemical science, 8 (2), 1178–1185. doi:10.1039/C6SC03184F -
Switching Behavior of Tripodal Molecules on Au(111) Studied With STM
Gerhard, L.; Valášek, M.
2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Ed.: J. Reedijk, Elsevier. doi:10.1016/B978-0-12-409547-2.14156-3
2016
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Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic \{Gd-7\} molecular nanomagnet
Pineda, E. M.; Lorusso, G.; Zangana, K. H.; Palacios, E.; Schnack, J.; Evangelisti, M.; Winpenny, R. E. P.; McInnes, E. J. L.
2016. Chemical science, 7 (8), 4891–4895. doi:10.1039/c6sc01415a -
Copper Keplerates: High-Symmetry Magnetic Molecules
Palacios, M. A.; Pineda, E. M.; Sanz, S.; Inglis, R.; Pitak, M. B.; Coles, S. J.; Evangelisti, M.; Nojiri, H.; Heesing, C.; Brechin, E. K.; Schnack, J.; Winpenny, R. E. P.
2016. ChemPhysChem, 17 (1), 55–60. doi:10.1002/cphc.201500956 -
Charge Transport by Superexchange in Molecular Host-Guest Systems
Symalla, F.; Friederich, P.; Massé, A.; Meded, V.; Coehoorn, R.; Bobbert, P.; Wenzel, W.
2016. Physical review letters, 117 (27), Art. Nr.: 276803. doi:10.1103/PhysRevLett.117.276803 -
How Far can the Anisotropy Deviate from Uniaxiality in a Dy-Based Single-Molecule Magnet? Dinuclear Dy(III) Complex Study
Baniodeh, A.; Mondal, A.; Galeev, R.; Sukhanov, A.; Eremina, R.; Voronkova, V.; Anson, C. E.; Powell, A. K.
2016. Applied magnetic resonance, 48 (1), 101–113. doi:10.1007/s00723-016-0852-y -
Coupling molecular spin centers to microwave planar resonators: towards integration of molecular qubits in quantum circuits
Bonizzoni, C.; Ghirri, A.; Bader, K.; Slageren, J. van; Perfetti, M.; Sorace, L.; Lan, Y.; Fuhr, O.; Rubene, M.; Affronte, M.
2016. Dalton transactions, 45 (42), 16596–16603. doi:10.1039/C6DT01953F -
Single-molecule devices with graphene electrodes
Lumetti, S.; Candini, A.; Godfrin, C.; Balestro, F.; Wernsdorfer, W.; Klyatskaya, S.; Ruben, M.; Affronte, M.
2016. Dalton transactions, 45 (42), 16570–16574. doi:10.1039/C6DT02445A -
Relay-Like Exchange Mechanism through a Spin Radical between TbPc₂ Molecules and Graphene/Ni(111) Substrates
Marocchi, S.; Candini, A.; Klar, D.; Van den Heuvel, W.; Huang, H.; Troiani, F.; Corradini, V.; Biagi, R.; De Renzi, V.; Klyatskaya, S.; Kummer, K.; Brookes, N. B.; Ruben, M.; Wende, H.; Pennino, U. del; Soncini, A.; Affronte, M.; Bellini, V.
2016. ACS nano, 10 (10), 9353–9360. doi:10.1021/acsnano.6b04107 -
Supramolecular 3d–4f single-molecule magnet architectures
Schmitz, S.; Leusen, J. van; Izarova, N. V.; Lan, Y.; Wernsdorfer, W.; Kögerler, P.; Monakhov, K. Y.
2016. Dalton transactions, 45 (41), 16148–16152. doi:10.1039/C6DT03392J -
Synthesis and molecular structure of a spheroidal binary nanoscale copper sulfide cluster
Bestgen, S.; Fuhr, O.; Roesky, P. W.; Fenske, D.
2016. Dalton transactions, 45, 14907–14910. doi:10.1039/C6DT03311C -
Stretching-Induced Conductance Increase in a Spin-Crossover Molecule
Frisenda, R.; Harzmann, G. D.; Celis Gil, J. A.; Thijssen, J. M.; Mayor, M.; Van Der Zant, H. S. J.
2016. Nano letters, 16 (8), 4733–4737. doi:10.1021/acs.nanolett.5b04899 -
C-Au Covalently Bonded Molecular Junctions Using Nonprotected Alkynyl Anchoring Groups
Olavarria-Contreras, I. J.; Perrin, M. L.; Chen, Z.; Klyatskaya, S.; Ruben, M.; Van Der Zant, H. S. J.
2016. Journal of the American Chemical Society, 138 (27), 8465–8469. doi:10.1021/jacs.6b03383 -
First heterometallic GaIII-DyIII single-molecule magnets: Implication of GaIII in extracting Fe-Dy interaction
Chen, S.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Dalton transactions, 45 (22), 9336–9344. doi:10.1039/c6dt01364c -
Bilayer of Terbium Double-Decker Single-Molecule Magnets
Serrano, G.; Wiespointner-Baumgarthuber, S.; Tebi, S.; Klyatskaya, S.; Ruben, M.; Koch, R.; Müllegger, S.
2016. The journal of physical chemistry <Washington, DC> / C, 120 (25), 13581–13586. doi:10.1021/acs.jpcc.6b03676 -
Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors
Friederich, P.; Meded, V.; Poschlad, A.; Neumann, T.; Rodin, V.; Stehr, V.; Symalla, F.; Danilov, D.; Lüdemann, G.; Fink, R. F.; Kondov, I.; Wrochem, F. von; Wenzel, W.
2016. Advanced functional materials, 26 (31), 5757–5763. doi:10.1002/adfm.201601807 -
Ab initio charge-carrier mobility model for amorphous molecular semiconductors
Massé, A.; Friederich, P.; Symalla, F.; Liu, F.; Nitsche, R.; Coehoorn, R.; Wenzel, W.; Bobbert, P. A.
2016. Physical Review B - Condensed Matter and Materials Physics, 93 (19), 195209/1–9. doi:10.1103/PhysRevB.93.195209 -
Quasi-Particle Self-Consistent GW for Molecules
Kaplan, F.; Harding, M. E.; Seiler, C.; Weigend, F.; Evers, F.; Setten, M. J. van
2016. Journal of Chemical Theory and Computation, 12 (6), 2528–2541. doi:10.1021/acs.jctc.5b01238 -
Identification of the current path for a conductive molecular wire on a tripodal platform
Karimi, M. A.; Bahoosh, S. G.; Valášek, M.; Bürkle, M.; Mayor, M.; Paulya, F.; Scheer, E.
2016. Nanoscale, 8 (20), 10582–10590. doi:10.1039/C5NR08708B -
An Undecanuclear Ferrimagnetic Cu₉Dy₂ Single Molecule Magnet Achieved through Ligand Fine-Tuning
Kühne, I. A.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2016. Inorganic Chemistry, 55 (9), 4072–4074. doi:10.1021/acs.inorgchem.6b00490 -
Giant Hysteresis of Single-Molecule Magnets Adsorbed on a Nonmagnetic Insulator
Wäckerlin, C.; Donati, F.; Singha, A.; Baltic, R.; Rusponi, S.; Diller, K.; Patthey, F.; Pivetta, M.; Lan, Y.; Klyatskaya, S. V.; Ruben, M.; Brune, H.; Dreiser, J.
2016. Advanced Materials, 28 (26), 5195–5199. doi:10.1002/adma.201506305 -
Molecular and Electronic Structure of the Cluster [Au₈(PPh₃)₈](NO₃)₂
Gutrath, B. S.; Schiefer, F.; Homberger, M.; Englert, U.; Åžerb, M.-D.; Bettray, W.; Beljakov, I.; Meded, V.; Wenzel, W.; Simon, U.
2016. European Journal of Inorganic Chemistry, 2016 (7), 975–981. doi:10.1002/ejic.201501334 -
Internal C–C Bond Rotation in Photoisomers of α-Bisimines: A Light-Responsive Two-Step Molecular Speed Regulator Based on Double Imine Photoswitching
Greb, L.; Eichhöfer, A.; Lehn, J.-M.
2016. European Journal of Organic Chemistry, 2016 (7), 1243–1246. doi:10.1002/ejoc.201600113 -
Controlled Folding, Motional, and Constitutional Dynamic Processes of Polyheterocyclic Molecular Strands
Barboiu, M.; Stadler, A.-M.; Lehn, J.-M.
2016. Angewandte Chemie / International edition, 55 (13), 4130–4154. doi:10.1002/anie.201505394 -
Influence of Meso and Nanoscale Structure on the Properties of Highly Efficient Small Molecule Solar Cells
Moench, T.; Friederich, P.; Holzmueller, F.; Rutkowski, B.; Benduhn, J.; Strunk, T.; Koerner, C.; Vandewal, K.; Czyrska-Filemonowicz, A.; Wenzel, W.; Leo, K.
2016. Advanced energy materials, 6 (4), Art.-Nr. 1501280. doi:10.1002/aenm.201501280 -
Time-resolved photoelectron spectroscopy of a dinuclear Pt(II) complex: Tunneling autodetachment from both singlet and triplet excited states of a molecular dianion
Winghart, M.-O.; Yang, J.-P.; Vonderach, M.; Unterreiner, A.-N.; Huang, D.-L.; Wang, L.-S.; Kruppa, S.; Riehn, C.; Kappes, M. M.
2016. Journal of Chemical Physics, 144 (5), 054305. doi:10.1063/1.4940795 -
Chiral Porous Metacrystals: Employing Liquid-Phase Epitaxy to Assemble Enantiopure Metal-Organic Nanoclusters into Molecular Framework Pores
Gu, Z.-G.; Fu, H.; Neumann, T.; Xu, Z.-X.; Fu, W.-Q.; Wenzel, W.; Zhang, L.; Zhang, J.; Wöll, C.
2016. ACS nano, 10 (1), 977–983. doi:10.1021/acsnano.5b06230 -
Spin-communication channels between Ln(III) bis-phthalocyanines molecular nanomagnets and a magnetic substrate
Candini, A.; Klar, D.; Marocchi, S.; Corradini, V.; Biagi, R.; De Renzi, V.; Del Pennino, U.; Troiani, F.; Bellini, V.; Klyatskaya, S.; Ruben, M.; Kummer, K.; Brookes, N. B.; Huang, H.; Soncini, A.; Wende, H.; Affronte, M.
2016. Scientific reports, 6, 21740. doi:10.1038/srep21740 -
Exchange Coupling of Spin-Crossover Molecules to Ferromagnetic Co Islands
Gueddida, S.; Gruber, M.; Miyamachi, T.; Beaurepaire, E.; Wulfhekel, W.; Alouani, M.
2016. Journal of Physical Chemistry Letters, 7 (5), 900–904. doi:10.1021/acs.jpclett.6b00172 -
Single-molecule magnet behavior in 2,2 ’-bipyrimidine-bridged dilanthanide complexes
Yu, W.; Schramm, F.; Moreno Pineda, E.; Lan, Y.; Fuhr, O.; Chen, J.; Isshiki, H.; Wernsdorfer, W.; Wulfhekel, W.; Ruben, M.
2016. Beilstein journal of nanotechnology, 7, 126–137. doi:10.3762/bjnano.7.15 -
A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe₄Dy₂ →Fe₆Dy₃
Chen, S.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Dalton Transactions, 45 (1), 98–106. doi:10.1039/C5DT03909F
2015
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Local current density calculations for molecular films from ab initio
Walz, M.; Bagrets, A.; Evers, F.
2015. Journal of chemical theory and computation, 11, 5161–5176. doi:10.1021/acs.jctc.5b00471 -
Self-assembly of a giant tetrahedral 3 d-4 f single-molecule magnet within a polyoxometalate system
Ibrahim, M.; Mereacre, V.; Leblanc, N.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2015. Angewandte Chemie / International edition, 54 (51), 15574–15578. doi:10.1002/anie.201504663 -
Exchange bias of TbPc₂ molecular magnets on antiferromagnetic FeMn and ferromagnetic Fe films
Nistor, C.; Krull, C.; Mugarza, A.; Stepanow, S.; Stamm, C.; Soares, M.; Klyatskaya, S.; Ruben, M.; Gambardella, P.
2015. Physical review / B, 92 (18), 184402/1–7. doi:10.1103/PhysRevB.92.184402 -
Effect of adduct formation with molecular nitrogen on the measured collisional cross sections of transition metal-1,10-phenanthroline complexes in traveling wave ion-mobility spectrometry: N2 is not always an "inert" buffer gas
Rijs, N. J.; Weiske, T.; Schlangen, M.; Schwarz, H.
2015. Analytical chemistry, 87, 9769–9776. doi:10.1021/acs.analchem.5b01985 -
Single-molecule spin switch based on voltage-triggered distortion of the coordination sphere
Harzmann, G. D.; Frisenda, R.; Van Der Zant, H. S. J.; Mayor, M.
2015. Angewandte Chemie / International edition, 54 (45), 13425–13430. doi:10.1002/anie.201505447 -
Spin-dependent hybridization between molecule and metal at room temperature through interlayer exchange coupling
Ibrahim, F.; Boukari, S.; Joly, L.; Da Costa, V.; Studniarek, M.; Peter, M.; Isshiki, H.; Jabbar, H.; Davesne, V.; Arabski, J.; Otero, E.; Choueikani, F.; Chen, K.; Ohresser, P.; Wulfhekel, W.; Scheurer, F.; Beaurepaire, E.; Alouani, M.; Weber, W.; Bowen, M.
2015. Nano Letters, 15 (12), 7921–7926. doi:10.1021/acs.nanolett.5b02961 -
Synthetic molecular motors: Thermal N inversion and directional photoinduced C=N Bond Rotation of Camphorquinone Imines
Greb, L.; Eichhöfer, A.; Lehn, J. M.
2015. Angewandte Chemie / International edition, 54 (48), 14345–14348. doi:10.1002/anie.201506691 -
GW100 : Benchmarking G₀W₀ for molecular systems
Setten, M. J. van; Caruso, F.; Sharifzadeh, S.; Ren, X.; Scheffler, M.; Liu, F.; Lischner, J.; Lin, L.; Deslippe, J. R.; Louie, S. G.; Yang, C.; Weigend, F.; Neaton, J. B.; Evers, F.; Rinke, P.
2015. Journal of chemical theory and computation, 11 (12), 5665–5687. doi:10.1021/acs.jctc.5b00453 -
Off-diagonal self-energy terms and partially self-consistency in GW calculations for single molecules: Efficient implementation and quantitative effects on ionization potentials
Kaplan, F.; Weigend, F.; Evers, F.; Setten, M. J. van
2015. Journal of chemical theory and computation, 11 (11), 5152–5160. doi:10.1021/acs.jctc.5b00394 -
Luminescence in phosphine-stabilized copper chalcogenide cluster molecules - A comparative study
Eichhöfer, A.; Buth, G.; LEbedkin, S.; Kühn, M.; Weigend, F.
2015. Inorganic chemistry, 54, 9413–9422. doi:10.1021/acs.inorgchem.5b01146 -
Molecular materials - towards quantum properties
Ruben, M.
2015. Beilstein journal of nanotechnology, 6, 1485–1486. doi:10.3762/bjnano.6.153 -
Tuning the magneto-optical response of TbPc₂ single molecule magnets by the choice of the substrate
Robaschik, P.; Fronk, M.; Toader, M.; Klyatskaya, S.; Ganss, F.; Siles, P. F.; Schmidt, O. G.; Albrecht, M.; Hietschold, M.; Ruben, M.; Zahn, D. R. T.; Salvan, G.
2015. Journal of materials chemistry / C, 3, 8039–8049. doi:10.1039/C5TC01520K -
Ab initio study of the adsorption of small molecules on metal-organic frameworks with oxo-centered trimetallic building units: The role of the undercoordinated metal ion
Mavrandonakis, A.; Vogiatzis, K. D.; Boese, A. D.; Fink, K.; Heine, T.; Klopper, W.
2015. Inorganic chemistry, 54 (17), 8251–8263. doi:10.1021/acs.inorgchem.5b00689 -
Controlling the spin texture of topological insulators by rational design of organic molecules
Jakobs, S.; Narayan, A.; Stadtmüller, B.; Droghetti, A.; Rungger, I.; Hor, Y. S.; Klyatskaya, S.; Jungkenn, D.; Stöckl, J.; Laux, M.; Monti, O. L. A.; Aeschlimann, M.; Cava, R. J.; Ruben, M.; Mathias, S.; Sanvito, S.; Chinchetti, M.
2015. Nano letters, 15 (9), 6022–6029. doi:10.1021/acs.nanolett.5b02213 -
Exchange bias and room-temperature magnetic order in molecular layers
Gruber, M.; Ibrahim, F.; Boukari, S.; Isshiki, H.; Joly, L.; Peter, M.; Studniarek, M.; Da Costa, V.; Jabbar, H.; Davesne, V.; Halisdemir, U.; Chen, J.; Arabski, J.; Otero, E.; Choueikani, F.; Chen, K.; Ohresser, P.; Wulfhekel, W.; Scheurer, F.; Weber, W.; Alouani, M.; Beaurepaire, E.; Bowen, M.
2015. Nature Materials, 14 (10), 981–984. doi:10.1038/nmat4361 -
In-plane Van der Waals interactions of molecular self-assembly monolayer
Gao, H. Y.; Wagner, H.; Held, P. A.; Du, S.; Gao, H. J.; Studer, A.; Fuchs, H.
2015. Applied Physics Letters, 106 (8), 081606/1–5. doi:10.1063/1.4907777 -
Spin transition in arrays of gold nanoparticles and spin crossover molecules
Devid, E. J.; Martinho, P. N.; Kamalakar, M. V.; Salitros, I.; Prendergast, U.; Dayen, J. F.; Meded, V.; Lemma, T.; Gonzalez-Prieto, R.; Evers, F.; Keyes, T. E.; Ruben, M.; Doudin, B.; Molen, S. J. van der
2015. ACS nano, 9 (4), 4496–4507. doi:10.1021/acsnano.5b01103 -
Magnetic interaction between a radical spin and a single-molecule magnet in a molecular spin-valve
Urdampilleta, M.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.
2015. ACS Nano, 9, 4458–4464. doi:10.1021/acsnano.5b01056 -
Impact of electrode density of states on transport through pyridine-linked single molecule junctions
Adak, O.; Korytar, R.; Joe, A. Y.; Evers, F.; Venkataraman, L.
2015. Nano letters, 15, 3716–3722. doi:10.1021/acs.nanolett.5b01195 -
Through the maze: Cross-coupling pathways to a helical hexaphenyl ’Geländer’ molecule
Rickhaus, M.; Bannwart, L. M.; Unke, O.; Gsellinger, H.; Häussinger, D.; Mayor, M.
2015. European Journal of Organic Chemistry, (4), 786–801. doi:10.1002/ejoc.201403322 -
Stability of high-mass molecular libraries: the role of the oligoporphyrin core
Sezer, U.; Schmid, P.; Felix, L.; Mayor, M.; Arndt, M.
2015. Journal of mass spectrometry, 50, 235–239. doi:10.1002/jms.3526 -
Bis(phthalocyaninato) lanthanide(lll) complexes - from molecular magnetism to spintronic devices
Lan, Y.; Klyatskaya, S.; Ruben, M.
2015. Layfield, R.A. [Hrsg.] Lanthanides and Actinides in Molecular Magnetism Weinheim : Wiley-VCH, 2015, 223–292
Molecular Electronics Publications 2010-2014
2014
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Electron-vibration interaction in the presence of a switchable Kondo resonance realized in a molecular junction
Rakhmilevitch, D.; Korytar, R.; Bagrets, A.; Evers, F.; Tal, O.
2014. Physical review letters, 113, 236603/1–6. doi:10.1103/PhysRevLett.113.236603 -
Unraveling the influence of lanthanide ions on intra- and inter-molecular electronic processes in Fe₁₀Ln₁₀ nano-toruses
Baniodeh, A.; Liang, Y.; Anson, C. E.; Magnani, N.; Powell, A. K.; Unterreiner, A. N.; Seyfferle, S.; Slota, M.; Dressel, M.; Bogani, L.; Goß, K.
2014. Advanced functional materials, 24, 6280–6290. doi:10.1002/adfm.201400336 -
Electrically driven nuclear spin resonance in single-molecule magnets
Thiele, S.; Balestro, F.; Ballou, R.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.
2014. Science, 344 (6188), 1135–1138. doi:10.1126/science.1249802
2013
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A Tripodal Molecule on a Gold Surface: Orientation-Dependent Coupling and Electronic Properties of the Molecular Legs
Lukas, M.; Dössel, K.; Schramm, A.; Fuhr, O.; Stroh, C.; Mayor, M.; Fink, K.; Löhneysen, H. von
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