Østergaard, M., Naver, E. B., Schüpbach, D., Kaestner, A., Strobl, M.
, Brüel, A., Thomsen, J. S., Schmidt, S., Poulsen, H. F., Kuhn, L. T.
& Birkedal, H. (2023).
Correlative study of liquid in human bone by 3D neutron microscopy and lab-based X-ray μCT.
Bone,
175, Article 116837.
https://doi.org/10.1016/j.bone.2023.116837
Thomas, S. P., Worthy, A., Eikeland, E. Z., Thompson, A. J., Grosjean, A., Tolborg, K.
, Krause, L., Sugimoto, K., Spackman, M. A., McMurtrie, J. C., Clegg, J. K.
& Iversen, B. B. (2023).
Coordination Sphere Flexibility Leads to Elastic Deformation in a One-Dimensional Coordination Polymer Crystal.
Chemistry of Materials,
35(6), 2495-2502.
https://doi.org/10.1021/acs.chemmater.2c03625
Magnard, N. P. L., Kirsch, A.
, Jørgensen, M. R. V., Kantor, I., Sørensen, D. R., Huotari, S., Rudić, S., Bordallo, H. N. & Jensen, K. M. Ø. (2023).
Control of H-Related Defects in γ-MnO2 in a Hydrothermal Synthesis.
Inorganic Chemistry,
62(32), 13021-13029.
https://doi.org/10.1021/acs.inorgchem.3c01815
Kubečka, J., Besel, V., Neefjes, I.
, Knattrup, Y., Kurtén, T., Vehkamäki, H.
& Elm, J. (2023).
Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning.
ACS Omega,
8(47), 45115-45128.
https://doi.org/10.1021/acsomega.3c07412
Zajac, M.
, Song, J., Skocek, J., Ben Haha, M.
& Skibsted, J. (2023).
Composite cements with aqueous and semi-dry carbonated recycled concrete pastes.
Construction and Building Materials,
407, Article 133362.
https://doi.org/10.1016/j.conbuildmat.2023.133362
Vosegaard, E. S., Ahlburg, J. V., Krause, L. & Iversen, B. B. (2023).
Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials,
79(Part 5), 380-391.
https://doi.org/10.1107/S2052520623006625
Yang, H., Neefjes, I., Tikkanen, V.
, Kubečka, J., Kurtén, T., Vehkamäki, H. & Reischl, B. (2023).
Collision-sticking rates of acid-base clusters in the gas phase determined from atomistic simulation and a novel analytical interacting hard-sphere model.
Atmospheric Chemistry and Physics,
23(10), 5993-6009.
https://doi.org/10.5194/acp-23-5993-2023
Chen, Y., Van Gelder, M. L.
, Nazari, P., Brogan, C. L., Van Dishoeck, E. F., Linnartz, H., Jørgensen, J. K., Hunter, T. R., Wilkins, O. H., Blake, G. A., Caselli, P., Chuang, K. J., Codella, C., Cooke, I., Drozdovskaya, M. N., Garrod, R. T.
, Ioppolo, S., Jin, M., Kulterer, B. M. ... Mcguire, B. A. (2023).
CoCCoA: Complex Chemistry in hot Cores with ALMA: Selected oxygen-bearing species.
Astronomy and Astrophysics,
678, Article A137.
https://doi.org/10.1051/0004-6361/202346491
Hillers-Bendtsen, A. E.
, Jensen, F., Mikkelsen, K. V.
, Olsen, J. & Jørgensen, P. (2024).
Cluster perturbation theory IX: Perturbation series for the coupled cluster singles and doubles ground state energy.
Journal of Chemical Physics,
160(10), Article 104108.
https://doi.org/10.1063/5.0192388
Johansen, M. B.
, Donslund, B. S., Larsen, E., Olsen, M. B., Pedersen, J. A. L., Boye, M., Smedsgård, J. K. C., Heck, R.
, Kristensen, S. K. & Skrydstrup, T. (2023).
Closed-Loop Recycling of Polyols from Thermoset Polyurethanes by tert-Amyl Alcohol-Mediated Depolymerization of Flexible Foams.
ACS Sustainable Chemistry and Engineering,
11(29), 10737–10745.
https://doi.org/10.1021/acssuschemeng.3c01469
Ma, R.
, Golbek, T. W., Shi, Y.
, Weidner, T. & Sutherland, D. (2023).
Chiral Sum Frequency Generation by Chiral Gold Nanoparticles Amplifies Weak Sum Frequency Signals and Enables Monitoring of Enantioselective Reactions.
ACS Applied Nano Materials,
6(18), 16161-16167.
https://doi.org/10.1021/acsanm.3c01774
Viennet, T., Rodriguez Ospina, S., Lu, Y., Cui, A., Arthanari, H. & Dempsey, D. R. (2023).
Chemical and structural approaches to investigate PTEN function and regulation. In A. K. Shukla (Ed.),
Integrated Methods in Protein Biochemistry: Part C (Vol. 682, pp. 289-318). ELSEVIER ACADEMIC PRESS INC.
https://doi.org/10.1016/bs.mie.2022.09.007
Chikina, A., Lund, H.
, Bianchi, M., Curcio, D., Dalgaard, K. J.
, Bremholm, M., Lei, S., Singha, R., Schoop, L. M.
& Hofmann, P. (2023).
Charge density wave generated Fermi surfaces in NdTe3.
Physical Review B,
107(16), Article L161103.
https://doi.org/10.1103/PhysRevB.107.L161103
Li, F.
, Muhmood, A., Akhter, M., Gao, X., Sun, J., Du, Z., Wei, Y.
, Zhang, T. & Wei, Y. (2023).
Characterization, health benefits, and food applications of enzymatic digestion- resistant dextrin: A review.
International Journal of Biological Macromolecules,
253(Part 4), Article 126970.
https://doi.org/10.1016/j.ijbiomac.2023.126970
Ahrens, A., Bonde, A., Sun, H., Wittig, N. K., Hammershøj, H. C. D., Batista, G. M. F., Sommerfeldt, A., Frølich, S.
, Birkedal, H. & Skrydstrup, T. (2023).
Catalytic disconnection of C-O bonds in epoxy resins and composites.
Nature,
617(7962), 730-737.
https://doi.org/10.1038/s41586-023-05944-6
Bregnhøj, M., Jensen, S. J. K., Strunge, K., Nielsen, A. B., Thøgersen, J., Nørnberg, P., Skibsted, J. & Finster, K. (2023).
Carbon Dioxide Sequestration by Triboelectric Charging of Tumbling Quartz Sand.
Journal of Physical Chemistry C,
127(25), 12008-12015.
https://doi.org/10.1021/acs.jpcc.3c02008
Grünewald, T. A., Johannes, A.
, Wittig, N. K., Palle, J., Rack, A., Burghammer, M.
& Birkedal, H. (2023).
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system.
IUCrJ,
10(2), 189-198.
https://doi.org/10.1107/S2052252523000866
Chua, J. Q. I.
, Christensen, T. E. K., Palle, J.
, Wittig, N. K., Grünewald, T. A., Garrevoet, J., Spiers, K. M., Castillo-Michel, H.
, Schramm, A., Chien, W. L., Sobota, R. M.
, Birkedal, H. & Miserez, A. (2023).
Biomineralization of mantis shrimp dactyl club following molting: Apatite formation and brominated organic components.
Acta Biomaterialia,
170, 479-495.
https://doi.org/10.1016/j.actbio.2023.08.054
Sandemann, J. R., Støckler, K. A. H., Wang, X., Chakoumakos, B. C.
& Iversen, B. B. (2023).
Benchmark Crystal Structure of Defect-Free Spinel ZnFe2O4.
Journal of the American Chemical Society,
145(38), 21053-21065.
https://doi.org/10.1021/jacs.3c07334
Christensen, C. K.
, Karlsen, M. A., Drejer, A. Ø.
, Andersen, B. P., Jakobsen, C. L.
, Johansen, M., Sørensen, D. R., Kantor, I.
, Jørgensen, M. R. V. & Ravnsbæk, D. B. (2023).
Beam damage in operando X-ray diffraction studies of Li-ion batteries.
Journal of Synchrotron Radiation,
30(Part 3), 561-570.
https://doi.org/10.1107/S160057752300142X
Kløve, M., Sommer, S.
, Iversen, B. B., Hammer, B. & Dononelli, W. (2023).
A Machine-Learning-Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory.
Advanced Materials,
35(13), Article 2208220.
https://doi.org/10.1002/adma.202208220
Empereur-mot, C.
, Pedersen, K. B., Capelli, R., Crippa, M., Caruso, C., Perrone, M., Souza, P. C. T., Marrink, S. J. & Pavan, G. M. (2023).
Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG.
Journal of Chemical Information and Modeling,
63(12), 3827–3838.
https://doi.org/10.1021/acs.jcim.3c00530
Frandsen, M., El-Chami, K.
, Palmfeldt, J., Smidt, J. M., Langballe, M. E. T., Sandahl, A.
& Gothelf, K. V. (2023).
Automated Solid-Phase Oligo(disulfide) Synthesis.
Angewandte Chemie International Edition,
62(23), Article e202303170.
https://doi.org/10.1002/anie.202303170
Linde, S. T., Corti, V.
, Lauridsen, V. H., Lamhauge, J. N., Jørgensen, K. A. & Rezayee, N. M. (2023).
Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.
Chemical Science,
14(13), 3676-3681.
https://doi.org/10.1039/d2sc06131g
Kubečka, J., Neefjes, I., Besel, V., Qiao, F., Xie, H.-B.
& Elm, J. (2023).
Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning.
The journal of physical chemistry. A,
127(9), 2091-2103.
https://doi.org/10.1021/acs.jpca.3c00068
Baghaee Ivriq, S., Laursen, K., Møller Jørgensen, A., Mondal, T.
, Zamani, M., Rezaeiyan, Y., Corbett, B.
, Iversen, B. B. & Moradi, F. (2024).
A System-Level Feasibility Study of a Lead-Free Ultrasonically Powered Light Delivery Implant for Optogenetics.
Advanced Intelligent Systems ,
6(3), Article 2300527.
https://doi.org/10.1002/aisy.202300527
Barløse, C. L., Faghtmann, J., Bitsch, R. S., Gbubele, J. D.
& Jørgensen, K. A. (2023).
Asymmetric Organocatalyzed Cascade Reactions─Merging the pseudo-Halogen and Halogen Effect with Dienamine Catalysis.
Organic Letters,
25(7), 1209-1213.
https://doi.org/10.1021/acs.orglett.3c00220
Kaasik, M., Chen, P.-P.
, Ricko, S., Jørgensen, K. A. & Houk, K. N. (2023).
Asymmetric [4 + 2], [6 + 2], and [6 + 4] Cycloadditions of Isomeric Formyl Cycloheptatrienes Catalyzed by a Chiral Diamine Catalyst.
Journal of the American Chemical Society,
145(43), 23874-23890.
https://doi.org/10.1021/jacs.3c09551
Randazzo, J. M., Marante, C., Chattopadhyay, S., Schneider, B. I.
, Olsen, J. & Argenti, L. (2023).
ASTRA: Transition-density-matrix approach to molecular ionization.
Physical Review Research ,
5(4), Article 043115.
https://doi.org/10.1103/PhysRevResearch.5.043115
Roelsgaard, M., Kløve, M., Christensen, R.
, Bertelsen, A. D., Broge, N. L. N., Kantor, I., Sørensen, D. R.
, Dippel, A.-C., Banerjee, S., Zimmermann, M. V., Glaevecke, P., Gutowski, O.
, Jørgensen, M. R. V. & Iversen, B. B. (2023).
A reactor for time-resolved X-ray studies of nucleation and growth during solvothermal synthesis.
Journal of Applied Crystallography,
56(3), 581-588.
https://doi.org/10.1107/S1600576723002339
Jensen, S. K., Bregnhøj, M., Thøgersen, J., Nørnberg, P., Nielsen, A. B., Skibsted, J. & Finster, K. (2023).
A putative mechanism for capture of carbon dioxide by quartz, mediated by triboelectric charging.
Chemical Physics Letters,
816, Article 140395.
https://doi.org/10.1016/j.cplett.2023.140395
Lu, R., Xie, Z., Christensen, C. S. Q., Luo, S., Nazari, P., Yousefi, O., Wang, Y.
& Wei, Z. (2023).
A photo-regenerable sponge filter to continuously remove hydrophobic and hydrophilic pollutants for water reuse.
Chemical Engineering Journal,
476(146695), Article 146695.
https://doi.org/10.1016/j.cej.2023.146695
Zuzic, L., Marzinek, J., Anand, G., Warwicker, J. & Bond, P. J. (2023).
A pH-dependent cluster of charges in a conserved cryptic pocket on flaviviral envelopes.
eLife,
12, Article e82447.
https://doi.org/10.7554/eLife.82447
Tvilum, A. S., Johansen, M. I., Glud, L. N., Ivarsen, D. M.
, Khamas, A. B., Carmali, S., Mhatre, S. S.
, Søgaard, A. B., Faddy, E., de Vor, L., H. M. Rooijakkers, S.
, Østergaard, L. J., Jørgensen, N. P., Meyer, R. L. & Zelikin, A. (2023).
Antibody-Drug Conjugates to Treat Bacterial Biofilms via Targeting and Extracellular Drug Release.
Advanced Science,
10(23), Article 2301340.
https://doi.org/10.1002/advs.202301340