Advanced capabilities for materials modelling with Quantum ESPRESSO von Giannozzi, P, Andreussi, O, Brumme, T, Bunau, O, Buongiorno Nardelli, M, Calandra, M, Car, R, Cavazzoni, C, Ceresoli, D, Cococcioni, M, Colonna, N, Carnimeo, I, Dal Corso, A, de Gironcoli, S, Delugas, P, DiStasio, Jr, R A, Ferretti, A, Floris, A, Fratesi, G, Fugallo, G, Gebauer, R, Gerstmann, U, Giustino, F, Gorni, T, Jia, J, Kawamura, M, Ko, H-Y, Kokalj, A, Küçükbenli, E, Lazzeri, M, Marsili, M, Marzari, N, Mauri, F, Nguyen, N L, Nguyen, H-V, Otero-de-la-Roza, A, Paulatto, L, Poncé, S, Rocca, D, Sabatini, R, Santra, B, Schlipf, M, Seitsonen, A P, Smogunov, A, Timrov, I, Thonhauser, T, Umari, P, Vast, N, Wu, X, Baroni, S

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The Slovenian version of the Cardiac depression scale – validity and reliability von Palandacic, A Kokalj, Ucman, S, Lainscak, M, Novak Sarotar, B

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The manifestation of anxiety in patients undergoing elective coronary angiography von Kokalj Palandacic, A., Ucman, S., Novak Sarotar, B., Lainscak, M.

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Multiple responses of Mytilus galloprovincialis to plastic microfibers von Auguste, M., Leonessi, M., Bozzo, M., Risso, B., Cutroneo, L., Prandi, S., Kokalj, A. Jemec, Drobne, D., Canesi, L.

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Li2MnSiO4 as a potential Li-battery cathode material von DOMINKO, R, BELE, M, KOKALJ, A, GABERSCEK, M, JAMNIK, J

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The Impact of Ce-Zr Addition on Nickel Dispersion and Catalytic Behavior for CO2 Methanation of Ni/AC Catalyst at Low Temperature von Ha, Nguyen Ngoc, Thu Ha, Nguyen Thi, Le, Van Khu, Cam, Le Minh

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Electrochemical, Surface-Analytical, and Computational DFT Study of Alkaline Etched Aluminum Modified by Carboxylic Acids for Corrosion Protection and Hydrophobicity von Milošev, I., Bakarič, T., Zanna, S., Seyeux, A., Rodič, P., Poberžnik, M., Chiter, F., Cornette, P., Costa, D., Kokalj, A., Marcus, P.

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Editors' Choice-The Effect of Anchor Group and Alkyl Backbone Chain on Performance of Organic Compounds as Corrosion Inhibitors for Aluminum Investigated Using an Integrative Exper... von Milošev, I., Zimerl, D., Carriére, Ch, Zanna, S., Seyeux, A., Iskra, J., Stavber, S., Chiter, F., Pober nik, M., Costa, D., Kokalj, A., Marcus, P.

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Quantification of the Nucleophilicities of 3-X-Thiophenes: Highlighting the Hyperortho Correlation von Gabsi, W., Goumont, R., Boubaker, T.

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The Adhesion Mechanism of Marine Mussel Foot Protein: Adsorption of L-Dopa on α- and β-Cristobalite Silica Using Density Functional Theory von Mian, Shabeer Ahmad, Khan, Younas

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Surface Structure and Catalytic Performance of Ni-Fe Catalyst for Low-Temperature CO Hydrogenation von Cui, Xiaoxi, Li, Zhong, Zhong, Pengzhan, Meng, Fanhui, Zheng, Huayan

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Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale von Kokalj, Anton

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The Coupled Effect of Temperature and Carbonation on the Corrosion of Rebars in the Simulated Concrete Pore Solutions von Deng, Peichang, Li, Xiaogang, Cheng, Xuequn, Hu, Jiezhen, Wang, Gui

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1-(2-Chlorobenzyloxy)-3-[1,2,3]triazol-1-yl-propan-2-ol Derivatives: Synthesis, Characterization, and DFT-Based Descriptors Analysis von González-Rivas, Nelly, Sanchez-Carmona, Miguel A., Reyes, Horacio, Román-Maldonado, Eloisa, Cuevas-Yañez, Erick

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An exploratory ecotoxicity study of primary microplastics versus aged in natural waters and wastewaters von Jemec Kokalj, Anita, Kuehnel, Dana, Puntar, Brina, Žgajnar Gotvajn, Andreja, Kalčikova, Gabriela

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Concomitant Effects of Transition Metal Chelation and Solvent Polarity on the First Molecular Hyperpolarizability of 4-Methoxyacetophenone Thiosemicarbazone: A DFT Study von Nkungli, Nyiang Kennet, Ghogomu, Julius Numbonui

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Tuning the stoichiometry of surface oxide phases by step morphology: Ag(511) versus Ag(210) von Savio, L, Giallombardo, C, Vattuone, L, Kokalj, A, Rocca, M

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On the Relevance of Considering the Intermolecular Interactions on the Prediction of the Vibrational Spectra of Isopropylamine von Amado, Ana M., Fiuza, Sónia M., Batista de Carvalho, Luis A. E., Ribeiro-Claro, Paulo J. A.

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B3LYP investigation of response properties of alkali halides on external static electric fields von Praveen, C.S., Kokalj, A., Valant, M.

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Oxygen interaction at Ag(511): from chemisorption to the initial stages of oxide formation von Savio, L, Giallombardo, C, Vattuone, L, Kokalj, A, Rocca, M

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