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Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy.
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- Angewandte Chemie International Edition, 2013, v. 52, n. 25, p. 6421, doi. 10.1002/anie.201207813
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- Article
Ab initio studies on van der Waals molecules. A comparative study with several basis sets of the C2 v HeLi2 system.
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- Journal of Computational Chemistry, 1987, v. 8, n. 1, p. 51, doi. 10.1002/jcc.540080107
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- Article
Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy.
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- Angewandte Chemie, 2013, v. 125, n. 25, p. 6549, doi. 10.1002/ange.201207813
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- Article
Long, multicenter bonding in π-[terthiophene] dimers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 1/2, p. 137, doi. 10.1007/s00214-009-0543-y
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- Article
On the Strength of the CH...︁O Hydrogen Bond and the Eclipsed Arrangement of the Methyl Group in a Tricyclic Orthoamide Trihydrate.
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- Angewandte Chemie International Edition, 1993, v. 32, n. 4, p. 588, doi. 10.1002/anie.199305881
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- Article
Origin of Bistability in the Butyl-Substituted Spirobiphenalenyl-Based Neutral Radical Material.
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- Chemistry - A European Journal, 2017, v. 23, n. 32, p. 7772, doi. 10.1002/chem.201700946
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- Article
Bistability in Organic Magnetic Materials: A Comparative Study of the Key Differences between Hysteretic and Non-hysteretic Spin Transitions in Dithiazolyl Radicals.
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- Chemistry - A European Journal, 2017, v. 23, n. 14, p. 3479, doi. 10.1002/chem.201700021
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- Article
Formation of Long, Multicenter π-[TCNE]<sub>2</sub><sup>2−</sup> Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations.
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- Chemistry - A European Journal, 2016, v. 22, n. 47, p. 17037, doi. 10.1002/chem.201603537
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- Article
The Tetracyanopyridinide Dimer Dianion, σ-[TCNPy]<sub>2</sub><sup>2−</sup>.
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- Chemistry - A European Journal, 2016, v. 22, n. 35, p. 12312, doi. 10.1002/chem.201603071
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- Article
Structure-Magnetism Relationships in α-Nitronyl Nitroxide Radicals: Pitfalls and Lessons to be Learned.
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- Advanced Materials, 1998, v. 10, n. 17, p. 1461, doi. 10.1002/(SICI)1521-4095(199812)10:17<1461::AID-ADMA1461>3.0.CO;2-Z
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- Publication type:
- Article
Bis(ethylenethio)tetrathiafulvalene (BET-TTF), an organic donor with high electrical conductivity.
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- Advanced Materials, 1995, v. 7, n. 12, p. 1023, doi. 10.1002/adma.19950071212
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- Article
CH...S and S...S: Two major forces in organic conductors.
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- Advanced Materials, 1995, v. 7, n. 2, p. 233, doi. 10.1002/adma.19950070230
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- Article
The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials.
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- Nature Communications, 2014, v. 5, n. 7, p. 4411, doi. 10.1038/ncomms5411
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- Article
A comparative study on the structure of M<sub>2</sub>Se and M<sub>2</sub>I<sup>+</sup> (M = Ag, Au) using pseudopotentials and full Ab initio methods.
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- International Journal of Quantum Chemistry, 1994, v. 52, n. 1, p. 1, doi. 10.1002/qua.560520102
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- Article
Theoretical study of the structure and vibrational spectra of the (H<sub>2</sub>O)<sub>2</sub>...HF and H<sub>2</sub>O...(HF)<sub>2</sub> molecular complexes.
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- International Journal of Quantum Chemistry, 1994, v. 52, n. 1, p. 177, doi. 10.1002/qua.560520118
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- Article
Studying the Origin of the Antiferromagnetic to Spin-Canting Transition in the β- p-NCC<sub>6</sub>F<sub>4</sub>CNSSN<sup>.</sup> Molecular Magnet.
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- Chemistry - A European Journal, 2010, v. 16, n. 9, p. 2741, doi. 10.1002/chem.200903221
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- Article
Cover Picture: Studying the Origin of the Antiferromagnetic to Spin-Canting Transition in the β- p-NCC<sub>6</sub>F<sub>4</sub>CNSSN<sup>.</sup> Molecular Magnet (Chem. Eur. J. 9/2010).
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- Chemistry - A European Journal, 2010, v. 16, n. 9, p. 2635, doi. 10.1002/chem.201090033
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- Article
Oxidation of End-Capped Pentathienoacenes and Characterization of Their Radical Cations.
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- Chemistry - A European Journal, 2009, v. 15, n. 45, p. 12346, doi. 10.1002/chem.200900246
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- Article
Direct versus Mediated Through-Space Magnetic Interactions: A First Principles, Bottom-Up Reinvestigation of the Magnetism of the Pyridyl-Verdazyl:Hydroquinone Molecular Co-Crystal.
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- Chemistry - A European Journal, 2006, v. 12, n. 15, p. 3995, doi. 10.1002/chem.200501182
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- Article
Towards a Better Understanding of Magnetic Interactions within m-Phenylene a-Nitronyl Nitroxide and Imino Nitroxide Based Radicals, Part III: Magnetic Exchange in a Series of Triradicals and Tetraradicals Based on the Phenyl Acetylene and Biphenyl Coupling Units
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- Chemistry - A European Journal, 2005, v. 11, n. 8, p. 2440, doi. 10.1002/chem.200400552
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- Article
The Mechanism of Magnetic Interactions in the Bulk Ferromagnet para-(Methylthio)Phenyl Nitronyl Nitroxide (YUJNEW): A First Principles, Bottom-Up, Theoretical Study.
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- Chemistry - A European Journal, 2004, v. 10, n. 24, p. 6422, doi. 10.1002/chem.200400493
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- Article
Magneto-Structural Characterization of Metallocene-Bridged Nitronyl Nitroxide Diradicals by X-Ray, Magnetic Measurements, Solid-state NMR Spectroscopy, and Ab Initio Calculations.
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- Chemistry - A European Journal, 2004, v. 10, n. 14, p. 3354, doi. 10.1002/chem.200490048
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- Article
The Nature of Intermolecular Cu<sup>I</sup>···Cu<sup>I</sup> Interactions: A Combined Theoretical and Structural Database Analysis.
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- Chemistry - A European Journal, 2004, v. 10, n. 9, p. 2117, doi. 10.1002/chem.200305249
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- Publication type:
- Article
Magneto-Structural Characterization of Metallocene-Bridged Nitronyl Nitroxide Diradicals by X-Ray, Magnetic Measurements, Solid-state NMR Spectroscopy, and Ab Initio Calculations.
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- Chemistry - A European Journal, 2004, v. 10, n. 6, p. 1355, doi. 10.1002/chem.200305349
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- Article
Supramolecular Photomagnetic Materials: Photoinduced Dimerization of Ferrocene-Based Polychlorotriphenylmethyl Radicals.
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- Chemistry - A European Journal, 2004, v. 10, n. 3, p. 603, doi. 10.1002/chem.200305194
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- Article
Cover Picture: Chem. Eur. J. 21/2002.
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- Chemistry - A European Journal, 2002, v. 8, n. 21, p. 4821, doi. 10.1002/1521-3765(20021104)8:21<4821::AID-CHEM4821>3.0.CO;2-Y
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- Article
Exceptionally Long (≥2.9 Å) CC Bonding Interactions in π-[TCNE]<sub>2</sub><sup>2−</sup> Dimers: Two-Electron Four-Center Cation-Mediated CC Bonding Interactions Involving π* Electrons.
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- Chemistry - A European Journal, 2002, v. 8, n. 21, p. 4894, doi. 10.1002/1521-3765(20021104)8:21<4894::AID-CHEM4894>3.0.CO;2-2
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- Publication type:
- Article
O−H⋅⋅⋅O Interactions Involving Doubly Charged Anions: Charge Compression in Carbonate-Bicarbonate Crystals.
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- Chemistry - A European Journal, 2002, v. 8, n. 5, p. 1173, doi. 10.1002/1521-3765(20020301)8:5<1173::AID-CHEM1173>3.0.CO;2-K
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- Article
Towards a Better Understanding of the Magnetic Interactions within m-Phenylene α-Nitronyl Imino Nitroxide Based Biradicals.
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- Chemistry - A European Journal, 2001, v. 7, n. 11, p. 2466, doi. 10.1002/1521-3765(20010601)7:11<2466::AID-CHEM24660>3.0.CO;2-4
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- Article
Interanionic <sup>(−)</sup>O−H⋅⋅⋅O<sup>(−)</sup> Interactions: A Solid-State and Computational Study of the Ring and Chain Motifs.
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- Chemistry - A European Journal, 2000, v. 6, n. 24, p. 4536, doi. 10.1002/1521-3765(20001215)6:24<4536::AID-CHEM4536>3.0.CO;2-M
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- Article
The Origin of the Magnetic Moments in Compressed Crystals of Polymeric C<sub>60</sub> ( This work was sponsored by the CEPBA-IBM Research Institute, as one of its cooperative research projects. We also thank the Spanish Ministerio de Ciencia y Teconología, and the Catalan CIRIT for grants which made this work possible (projects BQU2002-04587-C02-02 and 2001SGR-0044, respectively). J.R. also acknowledges Universitat de Barcelona and Ministerio de Educación Cultura y Deportes for the award of a Ph.D. grant. )
- Published in:
- Angewandte Chemie, 2004, v. 116, n. 5, p. 587, doi. 10.1002/ange.200352118
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- Article
Stereochemistry of Phenyl α-Nitronyl Nitroxide Radicals.
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- Chemistry - A European Journal, 2000, v. 6, n. 13, p. 2350, doi. 10.1002/1521-3765(20000703)6:13<2350::AID-CHEM2350>3.0.CO;2-U
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- Publication type:
- Article
Strength and Directionality of the S⋅⋅⋅S Intermolecular Interactions Present in TTF-Based Molecular Crystals. A Combined Statistical and Ab Initio Study.
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- Chemistry - A European Journal, 1999, v. 5, n. 12, p. 3689, doi. 10.1002/(SICI)1521-3765(19991203)5:12<3689::AID-CHEM3689>3.0.CO;2-H
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- Publication type:
- Article
Structure-Magnetism Relationships in α-Nitronyl Nitroxide Radicals.
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- Chemistry - A European Journal, 1999, v. 5, n. 5, p. 1631, doi. 10.1002/(SICI)1521-3765(19990503)5:5<1631::AID-CHEM1631>3.0.CO;2-6
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- Publication type:
- Article
On the Importance of Thermal Effects and Crystalline Disorder in the Magnetism of Benzotriazinyl-Derived Organic Radicals.
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- Chemistry - An Asian Journal, 2014, v. 9, n. 12, p. 3612, doi. 10.1002/asia.201402871
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- Publication type:
- Article
The Origin of the Magnetic Moments in Compressed Crystals of Polymeric C<sub>60</sub> ( This work was sponsored by the CEPBA-IBM Research Institute, as one of its cooperative research projects. We also thank the Spanish Ministerio de Ciencia y Teconología, and the Catalan CIRIT for grants which made this work possible (projects BQU2002-04587-C02-02 and 2001SGR-0044, respectively). J.R. also acknowledges Universitat de Barcelona and Ministerio de Educación Cultura y Deportes for the award of a Ph.D. grant. )
- Published in:
- Angewandte Chemie International Edition, 2004, v. 43, n. 5, p. 577, doi. 10.1002/anie.200352118
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- Publication type:
- Article
Exceptionally Long (≥2.9 Å) C−C Bonds between [TCNE]<sup>−</sup> Ions: Two-Electron, Four-Center π*-π* C−C Bonding in π-[TCNE]<sub>2</sub><sup>2−</sup>.
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- Angewandte Chemie International Edition, 2001, v. 40, n. 13, p. 2540, doi. 10.1002/1521-3773(20010702)40:13<2540::AID-ANIE2540>3.0.CO;2-O
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- Article
The origin of the two-electron/four-centers C&bond;C bond in π-TCNE<sub>2</sub><sup>2</sup><sup>-</sup> dimers: Electrostatic or dispersion?
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- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 326, doi. 10.1002/jcc.20525
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- Article
The Mechanism of Magnetic Interaction in Spin-Ladder Molecular Magnets: A First-Principles, Bottom-Up, Theoretical Study of the Magnetism in the Two-Legged Spin-Ladder Bis(2-amino-5-nitropyridinium) Tetrabromocuprate Monohydrate (Eur. J. Inorg. Chem. 23/2005)
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- European Journal of Inorganic Chemistry, 2005, v. 2005, n. 23, p. 4673
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- Article
The Mechanism of Magnetic Interaction in Spin-Ladder Molecular Magnets: A First-Principles, Bottom-Up, Theoretical Study of the Magnetism in the Two-Legged Spin-Ladder Bis(2-amino-5-nitropyridinium) Tetrabromocuprate Monohydrate.
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- European Journal of Inorganic Chemistry, 2005, v. 2005, n. 23, p. 4697
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- Article
Cover Picture: A New Conformation With an Extraordinarily Long, 3.04 Å Two-Electron, Six-Center Bond Observed for the π-[TCNE]<sub>2</sub><sup>2−</sup> Dimer in [NMe<sub>4</sub>]<sub>2</sub>[TCNE]<sub>2</sub> (TCNE=Tetracyanoethylene) (Chem. Eur. J. 38/2015)
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- Chemistry - A European Journal, 2015, v. 21, n. 38, p. 13141, doi. 10.1002/chem.201583801
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- Article
A New Conformation With an Extraordinarily Long, 3.04 Å Two-Electron, Six-Center Bond Observed for the π-[TCNE]<sub>2</sub><sup>2−</sup> Dimer in [NMe<sub>4</sub>]<sub>2</sub>[TCNE]<sub>2</sub> (TCNE=Tetracyanoethylene).
- Published in:
- 2015
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- Publication type:
- Other
A New Conformation With an Extraordinarily Long, 3.04 Å Two-Electron, Six-Center Bond Observed for the π-[TCNE]<sub>2</sub><sup>2−</sup> Dimer in [NMe<sub>4</sub>]<sub>2</sub>[TCNE]<sub>2</sub> (TCNE=Tetracyanoethylene).
- Published in:
- Chemistry - A European Journal, 2015, v. 21, n. 38, p. 13240, doi. 10.1002/chem.201501963
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- Article
Inside Back Cover: Orientational Preference of Long, Multicenter Bonds in Radical Anion Dimers: A Case Study of π-[TCNB]<sub>2</sub><sup>2−</sup> and π-[TCNP]<sub>2</sub><sup>2−</sup> (Chem. Eur. J. 17/2015).
- Published in:
- Chemistry - A European Journal, 2015, v. 21, n. 17, p. 6631, doi. 10.1002/chem.201590070
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- Article
Orientational Preference of Long, Multicenter Bonds in Radical Anion Dimers: A Case Study of π-[TCNB]<sub>2</sub><sup>2−</sup> and π-[TCNP]<sub>2</sub><sup>2−</sup>.
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- Chemistry - A European Journal, 2015, v. 21, n. 17, p. 6420, doi. 10.1002/chem.201406028
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- Article
Multistep π Dimerization of Tetrakis( n-decyl)heptathienoacene Radical Cations: A Combined Experimental and Theoretical Study.
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- Chemistry - A European Journal, 2014, v. 20, n. 33, p. 10351, doi. 10.1002/chem.201402182
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- Publication type:
- Article
S=1/2 One-Dimensional Random-Exchange Ferromagnetic Zigzag Ladder, Which Exhibits Competing Interactions in a Critical Regime.
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- Chemistry - A European Journal, 2014, v. 20, n. 27, p. 8355, doi. 10.1002/chem.201402314
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- Article
The Origin of the Room-Temperature Stability of [TTF]<sup>.+</sup>⋅⋅⋅[TTF]<sup>.+</sup> Long, Multicenter Bonds Found in Functionalized π-[R-TTF]<sub>2</sub><sup>2+</sup> Dimers Included in the Cucurbit[8]uril Cavity.
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- Chemistry - A European Journal, 2014, v. 20, n. 25, p. 7784, doi. 10.1002/chem.201402256
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- Article
Elucidating the 2D Magnetic Topology of the 'Metal-Radical' TTTA⋅Cu(hfac)<sub>2</sub> System.
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- Chemistry - A European Journal, 2014, v. 20, n. 23, p. 7083, doi. 10.1002/chem.201304712
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- Article
The Nature of the [TTF]<sup>.+</sup>⋅⋅⋅[TTF]<sup>.+</sup> Interactions in the [TTF]<sub>2</sub><sup>2+</sup> Dimers Embedded in Charged [3]Catenanes: Room-Temperature Multicenter Long Bonds.
- Published in:
- Chemistry - A European Journal, 2012, v. 18, n. 17, p. 5335, doi. 10.1002/chem.201103550
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- Article