Browsing by Subject Layer structure (Solids)
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| Issue Date | Title | Author(s) |
|---|---|---|
| 28-Dec-2020 | A captured room temperature stable Wheland intermediate as a key structure for the orthogonal decoration of 4-amino-pyrido[2,3-d]pyrimidin-7 (8H)-ones | Galve, I.; Ondoño, R.; de Rocafiguera, C.; Puig de la Bellacasa, Raimon; Batllori, X.; Puigjaner Vallet, Ma. Cristina; Font Bardia, Ma. Mercedes; Vallcorba, O.; Teixido, Jordi; Borrell, J. |
| 1-Dec-2025 | A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation | Sole Gomez, Jaume Alexandre; Mosella-Montoro, Albert; Cardona, Joan; Gómez Coca, Silvia; Aravena Ponce, Daniel Alejandro; Ruiz Sabín, Eliseo; Ruiz-Hidalgo, Javier |
| 20-Jun-2016 | A Ferromagnetic Salicylaldoximate/Azide MnII2MnIII6 Cluster with an S = 17 Ground State and a Single-Molecule-Magnet Response | Vicente Castillo, Ramón; El Fallah El Boufrahi, Mohamed Salah; Casanovas Bayo, Berta; Font Bardia, Ma. Mercedes; Escuer Fité, Albert |
| 20-Jun-2022 | A Hg(I) corrugated sheet assembled by auxiliary dioxole groups and Hg··· π interactions | Solans-Monfort, Xavier; Sánchez-Férez, Francisco; Calvet Pallàs, Maria Teresa; Font Bardia, Ma. Mercedes; Pons, Josefina |
| 2011 | A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}− Ligand | Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López Martínez, Ma. Concepción; Font Bardia, Ma. Mercedes; Calvet Pallàs, Maria Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles |
| 10-Jun-2014 | A new dinuclear copper(II) complex of unexpected formation with the 1-[2-(ethylamino)methyl]pyrazole ligand presents a curious Ferris wheel-like shape at supramolecular self-assembly | López Marzo, Adaris M.; Guerrero, Miguel; Calvet Pallàs, Maria Teresa; Font Bardia, Ma. Mercedes; Pons, Josefina |
| Aug-2019 | A novel type of organometallic 2-R-2,4-dihydro- 1H-3,1-benzoxazine with R = [M(η5-C5H4)(CO)3] (M = Re or Mn) units. Experimental and computational studies of the effect of substituent R on ring-chain tautomerism | Oyarzo, Juan; Bosque Pueyo, Ramón; Toro, Patricia; Silva, Carlos P.; Arancibia, Rodrigo; Font Bardia, Ma. Mercedes; Artigas, Vania; Calvis, Carme; Messeguer i Peypoch, Ramon; Klahn, A. Hugo; López, Concepción |
| 3-Aug-2022 | Amide-Driven Secondary Building Unit Structural Transformations between Zn(II) Coordination Polymers | Ejarque, Daniel; Calvet Pallàs, Maria Teresa; Font Bardia, Ma. Mercedes; Pons, Josefina |
| 2023 | An experimental and computational investigation of the elusive anhydrous form of Oxyma-B | Prohens López, Rafael; Barbas Cañero, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio |
| 6-Aug-2015 | Calcineurin Undergoes a Conformational Switch Evoked via Peptidyl-Prolyl Isomerization | Guasch, Alicia; Aranguren Ibáñez, Álvaro; Pérez Luque, Rosa; Aparicio, David; Martínez Høyer, Sergio; Mulero Roig, María Carmen; Serrano Candelas, Eva; Pérez Riba, Mercè; Fita Rodríguez, Ignasi |
| 1992 | Cation distribution and magnetization of BaFe12-2xCoxSnxO19 (x=0.9,1.28) single crystals | Sandiumenge Ortiz, Felip; Martínez Perea, Benjamin; Batlle Gelabert, Xavier; Galí Medina, Salvador, 1949-; Obradors, Xavier |
| 10-Jan-2019 | Chiral Dinuclear Ln(III) Complexes Derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and Magnetic Properties. | Casanovas Bayo, Berta; Speed, Saskia; El Fallah El Boufrahi, Mohamed Salah; Vicente Castillo, Ramón; Font Bardia, Ma. Mercedes; Zinna, Francesco; Di Bari, Lorenzo |
| 21-May-2017 | Circularly polarized luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-phenylpropionate | Casanovas Bayo, Berta; Zinna, Francesco; Di Bari, Lorenzo; El Fallah El Boufrahi, Mohamed Salah; Font Bardia, Ma. Mercedes; Vicente Castillo, Ramón |
| 16-Feb-2021 | Cocrystals Based on 4,4'-bipyridine: Influence of Crystal Packing on Melting Point | Ejarque, Daniel; Calvet Pallàs, Maria Teresa; Font Bardia, Ma. Mercedes; Pons, Josefina |
| 30-Oct-2018 | Combined Virtual/Experimental Multicomponent Solid Forms Screening of Sildenafil: New Salts, Cocrystals, and Hybrid Salt−Cocrystals | Barbas Cañero, Rafael; Font Bardia, Ma. Mercedes; Paradkar, A.; Hunter, C. A.; Prohens López, Rafael |
| 21-Dec-2016 | Computational Study of the Mechanisms that Stabilize Organic Molecule‐Based Magnets | Lafuente Hernández, Mª Pilar |
| 1994 | Computer simulation study of liquid lithium at 470 and 843 K | Canales Gabriel, Manel; González, Luis Enrique; Padró i Cárdenas, Joan Àngel |
| 28-Mar-2022 | Controlling the Formation of Two Concomitant Polymorphs in Hg(II)Coordination Polymers | Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet Pallàs, Maria Teresa; Font Bardia, Ma. Mercedes; Pons, Josefina |
| 1-Jan-2022 | Copper complexes from 3,5-disubstituted N-hydroxyethylpyrazole ligands: Cleavage of C-N bond as well as formation of second coordination sphere complexes | Soldevila-Sanmartín, Joan; Calvet Pallàs, Maria Teresa; Font Bardia, Ma. Mercedes; Planas, José Giner; Pons, Josefina |
| 19-Jul-2021 | Cosymlib: a Python library for continuous symmetry measures and its application to problems in structural chemistry | Bernuz Fito, Efrem |