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Results for General Chemistry

Publications & Outputs

  1. Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

    Horton, J. T., Boothroyd, S., Wagner, J., Mitchell, J. A., Gokey, T., Dotson, D. L., Behara, P. K., Ramaswamy, V. K., Mackey, M., Chodera, J. D., Anwar, J., Mobley, D. L. & Cole, D. J., 9/11/2022, (E-pub ahead of print) In: Journal of Chemical Information and Modeling. p. 5622-5633 12 p., 62 (22).

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  2. Bifunctional Ionic Deep Eutectic Electrolytes for CO<sub>2</sub> Electroreduction

    Halilu, A., Hadj-Kali, M. K., Hashim, M. A., Yusoff, R. & Aroua, M. K., 12/10/2022, (E-pub ahead of print) In: ACS Omega. 10 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  3. Quantum Interference in Mixed‐Valence Complexes: Tuning Electronic Coupling Through Substituent Effects

    Harrison, D. P., Grotjahn, R., Naher, M., Ghazvini, S. M. B. H., Mazzucato, D. M., Korb, M., Moggach, S. A., Lambert, C., Kaupp, M. & Low, P. J., 26/08/2022, (Accepted/In press) In: Angewandte Chemie International Edition.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  4. In-conduit capture of sub-micron volcanic ash particles via turbophoresis and sintering

    Farquharson, J. I., Tuffen, H., Wadsworth, F. B., Castro, J. M., Unwin, H. & Schipper, C. I., 11/08/2022, In: Nature Communications. 13, 1, 11 p., 4713.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  5. Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β

    Khurshid, B., Rehman, A. U., Muhammad, S., Wadood, A. & Anwar, J., 28/06/2022, In: ACS Omega. 7, 25, p. 22032-22038 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  6. Heparin-Assisted Amyloidogenesis Uncovered through Molecular Dynamics Simulations

    Khurshid, B., Rehman, A. U., Luo, R., Khan, A., Wadood, A. & Anwar, J., 3/05/2022, In: ACS Omega. 7, 17, p. 15132-15144 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  7. Prediction of Soil Heavy Metal Immobilization by Biochar Using Machine Learning

    Palansooriya, K. N., Li, J., Dissanayake, P. D., Suvarna, M., Li, L., Yuan, X., Sarkar, B., Tsang, D. C. W., Rinklebe, J., Wang, X. & Ok, Y. S., 30/04/2022, In: Environmental Science and Technology. 56, 7, p. 4187-4198 12 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  8. Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium-ion batteries – a combined experimental and theoretical approach to elucidate its charge storage mechanism

    Soares, C., Silván, B., Choi, Y-S., Celorrio, V., Seymour, V. R., Cibin, G., Griffin, J. M., Scanlon, D. O. & Tapia-Ruiz, N., 7/04/2022, In: Journal of Materials Chemistry A. 10, 13, p. 7341-7356 16 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  9. Revealing global risks of labor abuse and illegal, unreported, and unregulated fishing

    Selig, E. R., Nakayama, S., Wabnitz, C. C. C., Österblom, H., Spijkers, J., Miller, N. A., Bebbington, J. & Decker Sparks, J. L., 5/04/2022, In: Nature Communications. 13, 1, 11 p., 1612.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  10. Effect of Sewerage on the Contamination of Soil with Pathogenic Leptospira in Urban Slums

    Casanovas-Massana, A., Neves Souza, F., Curry, M., de Oliveira, D., de Oliveira, A. S., Eyre, M. T., Santiago, D., Aguiar Santos, M., Serra, R. M. R., Lopes, E., Xavier, B. IA., Diggle, P. J., Wunder, E. A., Reis, M. G., Ko, A. I. & Costa, F., 7/12/2021, In: Environmental Science and Technology. 55, 23, p. 15882-15890 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  11. Molecular Structure–(Thermo)electric Property Relationships in Single-Molecule Junctions and Comparisons with Single- and Multiple-Parameter Models

    Naher, M., Milan, D. C., Al-Owaedi, O. A., Planje, I. J., Bock, S., Hurtado-Gallego, J., Bastante, P., Abd Dawood, Z. M., Rincón-García, L., Rubio-Bollinger, G., Higgins, S. J., Agraït, N., Lambert, C. J., Nichols, R. J. & Low, P. J., 17/03/2021, In: Journal of the American Chemical Society. 143, 10, p. 3817-3829 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

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