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Issue Date	Title	Author(s)
20-May-2019	Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver-Copper Oxide AgCuO2	Carreras Conill, Abel; Conejeros Espíndola, Sergio; Camon, Agustín; Garcia, Alberto; Casan-Pastor, Nieves; Alemany i Cahner, Pere; Canadell, Enric, 1950-
10-Sep-2018	Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks	Sahadevan, Suchithra; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galan-Mascaros, José Ramón; Waerenborgh, João C.; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Mercuri, Maria Laura; Avarvari, Narcis
4-Apr-2018	κ-(BEDT-TTF)2Cu2(CN)3 spin liquid : beyond the average structure	Foury-Leylekian, Pascale; Ilakovac, Vita; Balédent, Victor; Fertey, Pierre; Arakcheeva, Alla; Milat, Ognjen; Petermann, Denis; Guillier, Gilles; Miyagawa, Kazuya; Kanoda, Kazushi; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Tomic, Silvia; Pouget, Jean-Paul
2022	Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method	Bofill i Villà, Josep M.; Quapp, Wolfgang; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi
24-Nov-2021	Vibrational energy relaxation of a diatomic molecule in a superfluid helium nanodroplet: influence of the nanodroplet size, interaction energy and energy gap	Blancafort Jorquera, Miquel; González Pérez, Miguel
8-Jun-2021	Engineering a light-driven cyanine based molecular rotor to enhance the sensitivity towards a viscous medium.	Kachwal, Vishal; Srivastava, Abhilasha; Thakar, Sumukh; Zubiria-Ulacia, Maria; Gautam, Diplesh; Majumder, Syamantak; Venkatesh, K.P.; Casanova i Casas, David; Chowdhury, Rajdeep; Rath, Nigam P.; Mukherjee, Sudeshn; Alemany i Cahner, Pere; Laskar, Inamur Rahaman
19-Feb-2021	Ultrafast resonant interatomic coulombic decay induced by quantum fluid dynamics	LaForge, A. C.; Michiels, R.; Ovcharenko, Y.; Ngai, Aaron; Escartín Esteban, José María; Berrah, N.; Callegari, C.; Clark, A.; Coreno, M.; Cucini, R.; Di Fraia, M.; Drabbels, M.; Fasshauer, E.; Finetti, P.; Giannessi, L.; Grazioli, C.; Iablonskyi, D.; Langbehn, B.; Nishiyama, T.; Oliver, V.; Piseri, P.; Plekan, Oksana; Prince, Kevin C.; Rupp, D.; Stranges, S.; Ueda, K.; Sisourat, N.; Eloranta, J.; Pi Pericay, Martí; Barranco Gómez, Manuel; Stienkemeier, F.; Möller, T.; Mudrich, M.
6-Dec-2021	Molecular Approach to Alkali-Metal Encapsulation by a Prussian Blue Analogue FeII/CoIII Cube in Aqueous Solution: A Kineticomechanistic Exchange Study	Gonzálvez, Miguel A.; Bernhardt, Paul V.; Font Bardia, Ma. Mercedes; Gallen Ortiz, Albert; Jover Modrego, Jesús; Ferrer García, Montserrat; Martínez López, Manuel, 1957-
14-Jan-2021	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations	Morais, Mariana A. B.; Coines, Joan; Domingues, Mariane N.; Pirolla, Renan A. S.; Tonoli, Celisa C. C.; Santos, Camila R.; Correa, Jessica B. L.; Gozzo, Fabio C.; Rovira i Virgili, Carme; Murakami, Mario T.
5-Nov-2021	Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations	Barazorda-Ccahuana, Haruna L.; Nedyalkova, Miroslava; Mas i Pujadas, Francesc; Madurga Díez, Sergio
29-Oct-2021	Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion	Alonso, Gerard; López Marne, Estefanía; Huarte Larrañaga, Fermín; Sayós Ortega, Ramón; Prats Garcia, Hèctor; Gamallo Belmonte, Pablo
28-Sep-2021	Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation	Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime
Sep-2019	The Periodic Table - A universal icon: Its birth 150 years ago, and its popularization through literature, art and music	Shaik, Sason; Cremades, Eduard; Álvarez, Santiago (Álvarez Reverter)
2019	Effect of the substituents on the nature and strength of lone pair-carbonyl interactions in acyl halides	Velasquez, Juan David; Echeverría, Jorge; Álvarez, Santiago (Álvarez Reverter)
Jul-2019	Marvellous molecular shapes	Álvarez, Santiago (Álvarez Reverter)
1-May-2021	Slow magnetic relaxation in dinuclear dysprosium and holmium phenoxide bridged complexes: A Dy2single molecule magnet with a high energy barrier	Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M.; Sanmartín, Jesús; Gómez Coca, Silvia; Ruiz Sabín, Eliseo; Colacio, Enrique
19-Sep-2021	Prediction of Partition Coefficients in SDS Micelles by DFT Calculations	Saranjam, Leila; Fuguet i Jordà, Elisabet; Nedyalkova, Miroslava; Simeonov, Vasil; Mas i Pujadas, Francesc; Madurga Díez, Sergio
6-Aug-2020	Crystallization Induced Enhanced Emission in Two New Zn(II) and Cd(II) Supramolecular Coordination Complexes with the 1-(3,4-Dimethylphenyl)-5-Methyl-1H-1,2,3-Triazole-4-Carboxylate Ligand	Narea, Pilar; Cisterna, Jonathan; Cárdenas, Alejandro; Amo-Ochoa, Pilar; Zamora, Félix; Climent Biescas, Claudia; Alemany i Cahner, Pere; Conejeros Espíndola, Sergio; Llanos, Jaime; Brito, Iván
21-Feb-2021	Room temperature conductance switching in a molecular iron(iii) spin crossover junction	Karuppannan, Senthil Kumar; Martín Rodríguez, Alejandro; Ruiz Sabín, Eliseo; Harding, Phimphaka; Harding, David J.; Yu, Xiaojiang; Tadich, Anton; Cowie, Bruce; Qi, Dongchen; Nijhuis, Christian A.
15-Feb-2021	A multifunctional Dysprosium-carboxylato 2D metallorganic framework	González, Jonay; Sevilla, Pablo; Gabarró Riera, Guillem; Jover Modrego, Jesús; Echeverría, Jorge; Fuertes, Sara; Arauzo, Ana; Bartolomé, Elena; Sañudo Zotes, Eva Carolina

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