Institut for Kemi

Aarhus Universitets segl
Du er her: Institut for Kemi Forskning Publikationer

Publikationer

Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

Sortér efter: Dato | Forfatter | Titel

Kubečka, J., Knattrup, Y., Trolle, G. B., Reischl, B., Lykke-Møller, A. S., Elm, J. & Neefjes, I. (2025). Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling. ACS Omega, 10(34), 39148-39161. https://doi.org/10.1021/acsomega.5c05634
Kolokouris, D., Kalenderoglou, I. E., Duncan, A. L., Corey, R. A., Sansom, M. S. P. & Kolocouris, A. (2025). The Role of Cholesterol in M2 Clustering and Viral Budding Explained. Journal of Chemical Theory and Computation, 21(2), 912-932. https://doi.org/10.1021/acs.jctc.4c01026
Juul-Madsen, L., Cordua, N., Greve, R. D., Pedersen, K., Trinderup, H. H., Petersen, E. & Jensen, H. H. (2025). The Stereochemical Outcome of Galactosylations Is Influenced by Both the Position and Electron-Withdrawing Power of Distal Acyl Protecting Groups. The Journal of Organic Chemistry, 90(20), 6662-6671. https://doi.org/10.1021/acs.joc.4c02956
Huang, Y., Guo, J., He, Y., Jia, R., Kou, J., Liu, J., Skrydstrup, T. & Xin, Z. (2025). Three-dimensional flower-like organic-dye-intercalated layered double hydroxide composite for efficient photocatalysis in heterogeneous flow chemistry. Journal of Materials Chemistry C, 13(17), 8479-8484. https://doi.org/10.1039/d5tc00600g
Kvaal, S., Fredheim, H. R., Højlund, M. G. & Pedersen, T. B. (2025). Time-dependent Bivariational Principle: Theoretical Foundation for Real-Time Propagation Methods of Coupled-Cluster Type. Journal of Physical Chemistry A, 129(15), 3508-3521. https://doi.org/10.1021/acs.jpca.4c07417
Højlund, M. G., Zoccante, A., Jensen, A. B. & Christiansen, O. (2025). Time-Dependent Vibrational Coupled Cluster Theory With Static and Dynamic Basis Functions. Wiley Interdisciplinary Reviews: Computational Molecular Science, 15(1), Artikel e70001. https://doi.org/10.1002/wcms.70001
Christensen, J. K., Albrechtsen, S. H., Petersen, C. E., Schouder, C. A., Sánchez-Pérez, I., Carchi-Villalta, P. J., Bartolomei, M., Pirani, F., González-Lezana, T. & Stapelfeldt, H. (2025). Time-resolved solvation dynamics of Li+, Na+ and K+ ions in liquid helium nanodroplets. Physical chemistry chemical physics : PCCP, 27(45), 24184-24194. https://doi.org/10.1039/d5cp03894d
Paulsen, T. T., Kiib, A. E., Wørmer, G. J., Hacker, S. M. & Poulsen, T. B. (2025). Total syntheses of cyclohelminthol I-IV reveal a new cysteine-selective covalent reactive group. Chemical Science, 16(9), 3916-3927. https://doi.org/10.1039/d4sc08667h
Popel, A. J., Okhrimenko, D. V., Jensen, M., Rasmussen, K. H., Bøjesen, E. D., Ceccato, M., Sørensen, H. O., Lakshtanov, L. Z., Solvang, M. & Stipp, S. L. S. (2025). Toward a better understanding of the mechanisms that control dissolution of calcium aluminosilicate glass. Journal of Non-Crystalline Solids, 666, Artikel 123692. https://doi.org/10.1016/j.jnoncrysol.2025.123692
Skov, L. N., Grinderslev, J. B., Kjær, T. S. S., Kristensen, L. R. & Jensen, T. R. (2025). Towards Solid-State Batteries Using a Calcium Hydridoborate Electrolyte. Angewandte Chemie International Edition, 64(15), Artikel e202500613. https://doi.org/10.1002/anie.202500613
Marks, M. J., Frank, S., Henriksen, M. L., Jeppesen, H. S. & Lock, N. (2025). Tracking 2D-to-3D crystal growth of a layered material in situ with X-ray scattering. Nanoscale, 17(29), 17159-17173. https://doi.org/10.1039/d5nr00594a
Coulon, R., Gajan, D., Papawassiliou, W., Pell, A. J., Schlagnitweit, J., Fayon, F., Florian, P., Massiot, D., Afrough, A., Juhl, D. W., Vosegaard, T., Cerofolini, L., Lelli, M., Lucci, M., Luchinat, C., Aspers, R. L. E. G., Gómez, J. S., Kentgens, A. P. M., Lambregts, S. F. H. ... Lesage, A. (2025). Transforming solid-state nuclear magnetic resonance towards a chemistry-ready technique. Solid State Nuclear Magnetic Resonance, 140, Artikel 102048. https://doi.org/10.1016/j.ssnmr.2025.102048
Hu, Q., Sitsel, O., Bågenholm, V., Grønberg, C., Lyu, P., Pii Svane, A. S., Andersen, K. R., Laursen, N. S., Meloni, G., Nissen, P., Juhl, D. W., Nielsen, J. T., Nielsen, N. C. & Gourdon, P. (2025). Transition metal transporting P-type ATPases: terminal metal-binding domains serve as sensors for autoinhibitory tails. FEBS journal, 292(7), 1654-1674. https://doi.org/10.1111/febs.17330
Andersen, D. G., Pedersen, A. B., Montasell, M. C., Moesgaard, S., Bohn, A. B. & Zelikin, A. N. (2025). Transmembrane Activation of Catalysis and Protein Refolding in Synthetic Cells by Enzymes and Nanozymes. Advanced Functional Materials, 35(34), Artikel 2503381. https://doi.org/10.1002/adfm.202503381
Overby, M., Desdorf, L. M., Kjølbye, L., Rosendahl, T., Weick, J. P., Schiøtt, B., Berglund, N. A. & Müller, H. K. (2025). Transmembrane domain interactions underlie NSG1 regulation of sortilin ectodomain shedding. Journal of Biological Chemistry, 301(11), Artikel 110804. https://doi.org/10.1016/j.jbc.2025.110804
Bregnhøj, M., Wili, N., Nielsen, A. B., Jensen, S. J. K., Nørnberg, P., Nielsen, N. C., Skibsted, J. & Finster, K. (2025). Triboelectrically Mediated Surface Reduction of Quartz Sand by Tumbling in Hydrogen Gas. Journal of Physical Chemistry C, 129(24), 10900-10910. https://doi.org/10.1021/acs.jpcc.5c02082
Jensen, R. B. & Christiansen, O. (2025). Unitary vibrational coupled cluster: General theory and implementation. The Journal of Chemical Physics, 162(8), Artikel 084112. https://doi.org/10.1063/5.0249469
Guo, J. & Offer, G. J. (2025). Unlocking battery lifetime potential. Joule, 9(4), Artikel 101886. https://doi.org/10.1016/j.joule.2025.101886
Che, Y., Guo, J., Zheng, Y., Stroe, D. I., Liu, W., Hu, X. & Teodorescu, R. (2025). Unlocking Interpretable Prediction of Battery Random Discharge Capacity With Domain Adaptative Physics Constraint. Advanced Energy Materials, 15(13), Artikel 2405506. https://doi.org/10.1002/aenm.202405506
Brix, M. V. B., Kløve, M., Stubkjær, R. B., Kato, K. & Iversen, B. B. (2025). Unraveling the Crystal Structures of Ag 2Ch (Ch = S, Se, Te) via Simultaneous X-Ray Diffraction and Total Scattering. Journal of the American Chemical Society, 147(29). https://doi.org/10.1021/jacs.5c07875
Espinoza Ramos, I., Guo, Z., Clulow, R., Su, B., Zhao, Q., Holm Gjørup, F., Ahlberg Tidblad, A. & Zhang, L. (2025). Unveiling chemomechanical degradation in aqueous batteries with online acoustic emission sensing. Materials Today Energy, 51, Artikel 101899. https://doi.org/10.1016/j.mtener.2025.101899
Moesgaard, J., Fujita, T. & Wei, S. (2025). Unveiling the boson peaks in amorphous phase-change materials. Journal of Physics: Condensed Matter, 37(2), Artikel 025101. https://doi.org/10.1088/1361-648X/ad80ef
Knattrup, Y. & Elm, J. (2025). Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles. Aerosol Research, 3(1), 125-137. https://doi.org/10.5194/ar-3-125-2025
Amdisen, M. B. & Jensen, T. R. (2025). Urea Calcium Borohydrides as Ca2+ Solid-State Electrolytes. Chemistry of Materials, 37(3), 1183-1194. https://doi.org/10.1021/acs.chemmater.4c03098
Saeed, K. H., Strunge, K., Mertig, R., Roeters, S. J. & Weidner, T. (2025). ViSCa: A computational toolbox for vibrational spectral calculations-Application to sum frequency generation spectroscopy of proteins. The Journal of Chemical Physics, 163(14), Artikel 144706. https://doi.org/10.1063/5.0296008
Green, A. E., Chen, K., Bhattacharyya, S., Allum, F., Usenko, S., Ashfold, M. N. R., Baumann, T. M., Borne, K. D., Brouard, M., Burt, M., Curchod, B. F. E., Erk, B., Forbes, R. J. G., Ibele, L. M., Ingle, R. A., Van Sa Lam, H., Li, X., Lin, K., Mazza, T. ... Rolles, D. (2025). Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging. Journal of the American Chemical Society, 147(41), 37133-37143. https://doi.org/10.1021/jacs.5c08730
Nielsen, T. M., Schlegel, N., Sanz Arjona, A., Klemmt, R., Rohde, R., Vosch, T., Bøjesen, E. D. & Jensen, K. M. Ø. (2025). Water-Based Synthesis of Supported Ultrasmall High-Entropy Alloy Nanoparticles. Nano Letters, 25(49), 16977-16984. https://doi.org/10.1021/acs.nanolett.5c03515
Vosegaard, E. S., Svane, J. & Brummerstedt Iversen, B. (2025). X-ray electron density analysis of chemical bonding in permanent magnet Nd2Fe14B. IUCrJ, 12(6), 658-669. https://doi.org/10.1107/S2052252525007602
Vestergaard, A. K., Gammelgaard, J. J., Sun, Z., Zhao, S., Li, Z., Lock, N., Daasbjerg, K. & Lauritsen, J. V. (2025). X-ray spectroscopy characterization of cobalt stabilization within a monolayer carbon nitride in the oxygen evolution reaction. Physical chemistry chemical physics : PCCP, 27(10), 5326-5337. Advance online publication. https://doi.org/10.1039/d4cp04148h
Hall, C. A., Grinter, D. C., Sandemann, J., Iversen, B. B., Bennett, R. A., Held, G., Grau-Crespo, R. & Ferrer, P. (2025). Zinc depletion at the ZnFe2O4 (1 1 1) single crystal surface: X-ray spectroscopy experiments and computer simulations. Applied Surface Science, 713, Artikel 164253. https://doi.org/10.1016/j.apsusc.2025.164253
Nisticò, R., Idriss, H., Carlos, L., Aneggi, E. & Jensen, T. R. (2024). 10th Anniversary of Inorganics: Inorganic Materials. Inorganics, 12(3), Artikel 62. https://doi.org/10.3390/inorganics12030062
Christensen, T. E. K., Østergaard, M., Gutowski, O., Dippel, A. C. & Birkedal, H. (2024). 3D distribution of biomineral and chitin matrix in the stomatopod dactyl club by high energy XRD-CT. Journal of Structural Biology, 216(4), Artikel 108136. https://doi.org/10.1016/j.jsb.2024.108136
Castanheira, E. J., Maia, J. R., Monteiro, L. P. G., Sobreiro-Almeida, R., Wittig, N. K., Birkedal, H., Rodrigues, J. M. M. & Mano, J. F. (2024). 3D-printed injectable nanocomposite cryogel scaffolds for bone tissue regeneration. Materials Today Nano, 28, Artikel 100519. https://doi.org/10.1016/j.mtnano.2024.100519
Højlund, M. G. & Christiansen, O. (2024). A bivariational, stable, and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets. The Journal of Chemical Physics, 160(17), Artikel 174119. https://doi.org/10.1063/5.0203914
Kubečka, J., Ayoubi, D., Tang, Z., Knattrup, Y., Engsvang, M., Wu, H. & Elm, J. (2024). Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks. Environmental science: Advances, 3(10), 1438-1451. https://doi.org/10.1039/d4va00255e
Pedersen, A. N., Knattrup, Y. & Elm, J. (2024). A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation. Aerosol Research, 2(1), 123-134. https://doi.org/10.5194/ar-2-123-2024
Bertelsen, M. B., Tsang, E., Palmfeldt, J., Kristoffersen, C. H., Nisavic, M. & Gothelf, K. V. (2024). A Diketopinic Reagent for the Reversible Bioconjugation to Arginine Residues on Native Antibodies. Bioconjugate Chemistry, 35(11), 1755-1761. https://doi.org/10.1021/acs.bioconjchem.4c00317
Zhou, J., Zhang, J., Iversen, B. B. & Shi, X. (2024). Advanced thermoelectrics, What’s Next? Next Energy, 4, Artikel 100147. https://doi.org/10.1016/j.nxener.2024.100147
Larsen, E. M. H., Brock-Nannestad, T., Skibsted, J., Reinholdt, A. & Bendix, J. (2024). A homoleptic AgIII complex stabilized by succinimidate ligands. Chemical Science, 15(43), 18067-18075. https://doi.org/10.1039/d4sc04843a
Laursen, A. P., Frandsen, J. P., Shyam, P., Mørch, M. I., Gjørup, F. H., Vijayan, H., Jørgensen, M. R. V. & Christensen, M. (2024). Aligned Permanent Magnet Made in Seconds: An In Situ Diffraction Study. Advanced Electronic Materials, 10(9), Artikel 2400077. https://doi.org/10.1002/aelm.202400077
Nie, S. & Skibsted, J. (2024). Aluminum distribution in C-(A)-S-H and calcium aluminate hydrate phases of Portland cement – metakaolin – limestone blends studied by 27Al and 29Si NMR spectroscopy. Cement and Concrete Research, 186, Artikel 107664. https://doi.org/10.1016/j.cemconres.2024.107664
Mikkelsen, J. E. S. & Jensen, F. (2024). Ambiguities in Decomposing Molecular Polarizability into Atomic Charge Flow and Induced Dipole Contributions. Journal of Physical Chemistry A, 128(20), 4168–4175. https://doi.org/10.1021/acs.jpca.4c01890
Birkedal, H., Sztucki, M., Stammer, M., Sadetskaia, A., Burghammer, M. C. & Grünewald, T. A. (2024). A micro-beamstop with transmission detection by fluorescence for scanning-beam synchrotron scattering beamlines. Journal of Applied Crystallography, 57(Pt 6), 2043-2047. https://doi.org/10.1107/S1600576724009129
Mamakhel, A., Kløve, M., Bondesgaard, M., Christiansen, T. L., Pedersen, S. U., Skibsted, J. & Iversen, B. B. (2024). Amphoteric SnO2 nanoparticles via pH-controlled continuous flow solvothermal synthesis. Journal of Supercritical Fluids, 212, Artikel 106341. https://doi.org/10.1016/j.supflu.2024.106341
Dinesen, A., Andersen, V. L., Elkhashab, M., Pilati, D., Bech, P., Fuchs, E., Samuelsen, T. R., Winther, A., Cai, Y., Märcher, A., Wall, A., Omer, M., Nielsen, J. S., Chudasama, V., Baker, J. R., Gothelf, K. V., Wengel, J., Kjems, J. & Howard, K. A. (2024). An Albumin-Holliday Junction Biomolecular Modular Design for Programmable Multifunctionality and Prolonged Circulation. Bioconjugate Chemistry, 35(2), 214-222. https://doi.org/10.1021/acs.bioconjchem.3c00491
Faghtmann, J., Eugui, M., Nygaard Lamhauge, J., Sofie Pladsbjerg Andresen, S., Rask Østergaard, A., Bjerregaard Svenningsen, E., B. Poulsen, T. & Anker Jørgensen, K. (2024). An Enantioselective Aminocatalytic Cascade Reaction Affording Bioactive Hexahydroazulene Scaffolds. Chemistry - A European Journal, 30(32), Artikel e202401156. https://doi.org/10.1002/chem.202401156
Alcaina-Hernando, M., Malvacio, I., Ferraboschi, I., Huck-Iriart, C., Bianchera, A., Sala, S., Pedersen, J. S., Ferrer-Tasies, L., Pescina, S., Sissa, C., Ventosa, N. & Córdoba, A. (2024). A new plant-based drug delivery platform based on alkyl polyglucosides and β-sitosterol nanovesicles for topical delivery. Applied Materials Today, 41, Artikel 102467. https://doi.org/10.1016/j.apmt.2024.102467
Nielsen, R. V., Salimi, M., Andersen, J. E. V., Elm, J., Dantan, A. & Pedersen, H. B. (2024). A new setup for measurements of absolute saturation vapor pressures using a dynamical method: Experimental concept and validation. Review of Scientific Instruments, 95(6), Artikel 065007. https://doi.org/10.1063/5.0215176
Westberg, M., Su, Y., Zou, X., Huang, P., Rustagi, A., Garhyan, J., Patel, P. B., Fernandez, D., Wu, Y., Hao, C., Lo, C. W., Karim, M., Ning, L., Beck, A., Saenkham-Huntsinger, P., Tat, V., Drelich, A., Peng, B. H., Einav, S. ... Lin, M. Z. (2024). An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Science Translational Medicine, 16(738), Artikel eadi0979. https://doi.org/10.1126/scitranslmed.adi0979
Vitasovic, T., Caniglia, G., Eghtesadi, N., Ceccato, M., Bo̷jesen, E. D., Gosewinkel, U., Neusser, G., Rupp, U., Walther, P., Kranz, C. & Ferapontova, E. E. (2024). Antibacterial Action of Zn2+ Ions Driven by the In Vivo Formed ZnO Nanoparticles. ACS Applied Materials and Interfaces, 16(24), 30847-30859. https://doi.org/10.1021/acsami.4c04682

Viser resultater 251 til 300 ud af 5220

Forrige

2

3

4

5

6

7

8

9

10

11

Næste

Vis debug information

Revideret 24.09.2025
-
Institut for Kemi