Subscribe to this collection to receive daily e-mail notification of new additions

Issue Date	Title	Author(s)
2008	Classical dynamics study of atomic oxygen sticking on the β-cristobalite (100) surface	Arasa Cid, Carina; Busnengo, H. F.; Salin, A.; Sayós Ortega, Ramón
1-Oct-2016	Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory	Pérez González, Juan J.; Santos Tomas, M.; Rubio Martínez, Jaime
25-Feb-2021	Conducting chiral nickel(II) bis(dithiolene) complexes: structural and electron transport modulation with the charge and the number of stereogenic centres	Abhervé, Alexandre; Mroweh, Nabil; Cauchy, Thomas; Pop, Flavia; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Avarvari, Narcis
10-Jul-2020	Engineering Polar Oxynitrides: Hexagonal Perovskite BaWON2	Oró-Solé, Judith; Fina, Ignasi; Frontera Beccaria, Carlos; Gàzquez, Jaume; Ritter, Clemens; Cunquero, Marina; Loza-Alvarez, Pablo; Conejeros Espíndola, Sergio; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Fontcuberta i Griñó, Josep; Fuertes, Amparo
1-May-2020	Energy transfer, structural and luminescent properties of the color tunable Phosphor Y2WO6:Sm3+	Espinoza, D.; Allan, N.L.; Castillo, R.; Conejeros Espíndola, Sergio; Brito, I.; Martin, I. R.; Alemany i Cahner, Pere; Llanos, Jaime
27-Jul-2021	Rich Polymorphism of Layered NbS3	Conejeros Espíndola, Sergio; Guster, Bogdan; Alemany i Cahner, Pere; Pouget, Jean-Paul; Canadell, Enric, 1950-
14-Sep-2019	Electronic, structural, and optical properties of Y2WO6, a host material for inorganic phosphors	Alemany i Cahner, Pere; Llanos, Jaime
7-Jun-2019	Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes	Carreras Conill, Abel; Fuligni, Luca; Alemany i Cahner, Pere; Llunell Marí, Miquel; Bofill i Villà, Josep M.; Quapp, Wolfgang
3-Sep-2019	'Aggregation-Induced Emission'' of Transition Metal Compounds: Design, Mechanistic Insights, and Applications	Alam, Parvej; Climent Biescas, Claudia; Alemany i Cahner, Pere; Laskar, Inamur Rahaman
21-Mar-2019	Fermi surface properties of the bifunctional organic metal κ-(BETS)2Mn[N(CN)2]3 near the metal-insulator transition	Zverev, V.N.; Biberacher, W.; Oberbauer, S.; Sheikin, I.; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Kartsovnik M.V.
14-Feb-2018	Evaluation of novel platinum(II) based AIE compound-encapsulated mesoporous silica nanoparticles for cancer theranostic application	Pasha, Sheik Saleem; Fageria, Leena; Climent Biescas, Claudia; Rath, Nigam P.; Alemany i Cahner, Pere; Chowdhury, Rajdeep; Roy, Aniruddha; Laskar, Inamur Rahaman
1-Jul-2015	Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of 𝛿-Bi2O3	Galván, D.H.; Núñez-González, R.; Rangel, R.; Alemany i Cahner, Pere; Posada-Amarillas, A.
12-Nov-2018	Effects of temperature on the shape and symmetry of molecules and solids	Carreras Conill, Abel; Bernuz, Efrem; Marugan, Xavier; Llunell Marí, Miquel; Alemany i Cahner, Pere
25-Nov-2020	Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain:Antiferromagnetism in K‐Doped p‐Terphenyl	Gadjieva, Natalia A.; Szirmai, Péter; Sági, Olivér; Alemany i Cahner, Pere; Bartholomew, Amymarie K.; Conejeros Espíndola, Sergio; Paley, Daniel W.; Hernández Sánchez, Raúl; Fowler, Brandon; Peurifoy, Samuel R.; Náfrádi, Bálint; Forró, Lázsló; Roy, Xavier S.; Batail, Patrick; Canadell, Enric, 1950-; Steigerwald, Michael L.; Nuckolls, Colin
18-Jun-2020	In Search of Chiral Molecular Superconductors: κ-[(S,S)-DM-BEDT-TTF]2ClO4 Revisited	Mroweh, Nabil; Mézière, Cécile; Pop, Flavia; Auban-Senzier, Pascale; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Avarvari, Narcis
14-Apr-2020	Glycine Residue Twists HOMO¿HOMO Interactions in a Molecular Conductor	El-Ghayoury, Abdelkrim; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Auban-Senzier, Pascale; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Batail, Patrick
30-Apr-2020	Weak localization competes with the quantum oscillations in a natural electronic superlattice: the case of Na1.5(PO2)4(WO3)20	Kolincio, K. K.; Pérez, O.; Canadell, Enric, 1950-; Alemany i Cahner, Pere; Duverger-Nédellec, E.; Minelli, A.; Bosak, A.; Pautrat, A.
7-Jun-2018	Donor-anion interactions in quarter-filled low-dimensional organic conductors	Pouget, Jean-Paul; Alemany i Cahner, Pere; Canadell, Enric, 1950-
3-Apr-2019	Electronic structure of the α-(BEDT-TTF)2I3 surface by photoelectron spectroscopy	Tisserond, Emilie; Nilforoushan, Niloufar; Caputo, Marco; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Khalil, Lama; Vobornik, Ivana; Fujii, Jun; Das Kumar, Pranab; Mézière, Cécile; Batail, Patrick; Pouget, Jean-Paul; Pasquier, Claude; Marsi, Marino; Monteverde, Miguel
27-Sep-2019	Electronic engineering of a tetrathiafulvalene charge-transfer salt via reduced symmetry induced by combined substituents	Kiyota, Y.; Jeon, I.-R.; Jeannin, O.; Beau, M.; Kawamoto, T.; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Mori, T.; Fourmigué, M.

Recent Submissions

Determining the chemical ordering in nanoalloys by considering atomic coordination types

Mechanochemistry of degree two.

Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes

Bioengineering fascicle-like skeletal muscle bioactuators via pluronic-assisted co-axial 3D bioprinting (PACA-3D)

Exploring nickel-catalyzed organochalcogen synthesis via cross-coupling of benzonitrile and alkyl chalcogenols with computational tools