Publications
2024
30. Ostovar, B.; Lee, S. A.; Mehmood, A.; Farrell, K.; Searles, E. K.; Bourgeois, B.; Chiang, W.-Y.; Misiura, A.; Gross, N.; Al-Zubeidi, A.; Dionne, J. A.; Landes, F. C.; Zanni , M.; Levine, B. G.; Link, S. The role of the plasmon in interfacial charge transfer. Sci. Adv. 2024, 10 (27), eadp3353. (Download).
29. Mehmood, A.; Silfies, M. C.; Durden, A. S.; Allison, T. K.; Levine, B. G. Simulating Ultrafast Transient Absorption Spectra from First Principles using a Time-Dependent Configuration Interaction Probe. arXiv preprint; arXiv:2404.16568 2024. (Download)
28. Hernández, H. M.; Ohtsuka, S.; Mehmood, A.; Bordenca, J.; Wen, W.; Levine, B. G.; Johnson, C. J. Resonance Effects from Substituents on L-Type Ligands Mediate Synthetic Control of Gold Nanocluster Frontier Orbital Energies. ChemRxiv preprint; doi:10.26434/chemrxiv-2024-csv33. (Download)
27. Sowa, J. K.; Cadena, D. M.; Mehmood, A.; Levine, B. G.; Roberts, S. T.; Rossky, P. J. IR Spectroscopy of Carboxylate-Passivated Semiconducting Nanocrystals: Simulation and Experiment. J. Phys. Chem. C 2024, 128 (21), 8724-8731. (Download)
2023
26. Bian, Z.; Wallum, A.; Mehmood, A.; Gomez, E.; Wang, Z.; Pandit, S.; Nie, S.; Link, S.; Levine, B. G.; Gruebele, M. Properties of Carbon Dots versus Small Molecules from “Bottom-up” Synthesis. ACS Nano 2023, 17 (22), 22788-22799. (Download)
25. Silfies, M. C.; Mehmood, A.; Kowzan, G.; Hohenstein, E. G.; Levine, B. G.; Allison, T. K., Ultrafast internal conversion and photochromism in gas-phase salicylideneaniline. J. Chem. Phys. 2023, 159, 104304. (Download)
24. Khanam, H.; Mehmood, A.; Ahmed, A.; Noureen, S., In the pursuit of a ‘disappearing solvatomorph’ of antipyrine-dipicolinic acid (ANT-DPA) co-crystal: explained through relative stability and charge density analyses. CrystEngComm 2023, 25, 6478-6488. (Download)
23. Iqbal, I.; Mehmood, A.; Noureen, S.; Lecomte, C.; Ahmed, A., Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate. CrystEngComm 2023, 25, 770-784. (Download)
2022
22. Bilal, A.; Mehmood, A.; Noureen, S.; Lecomte, C.; Ahmed, A., Crystal engineering of a co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement. CrystEngComm 2022, 24, 7758-7770. (Download)
21. Kulikov, O. V.; Mehmood, A.; Sevryugina, Y. V., Polymerizable Channel-like Stacks Derived from Cyclic Tetrameric Diacetylenes. Results in Materials 2022, 13, 100262. (Download)
20. Akram, S.; Mehmood, A.; Noureen, S.; Lecomte, C.; Ahmed, A., Thermal-induced Transformation of Glutamic Acid to Pyroglutamic Acid and Self-cocrystallization: A Charge–Density Analysis. Acta. Cryst. C. 2022, 78, 72-80. (Download)
2021
19. Iqbal, A.; Mehmood, A.; Noureen, S.; Ahmed, A., Crystal Engineering of Co-crystal of Nicotinic Acid and Pyrogallol: An Experimental and Theoretical Electron Density Analysis. Acta. Cryst. B. 2021, 77 (6), 1035-1047. (Download)
2020
18. Enciso, A. E.; Lorandi, F.; Mehmood, A.; Fantin, M.; Szczepaniak, G.; Janesko, B. J.; Matyjaszewski, K., p-Substituted Tris(2-pyridylmethyl)amines as Ligands for Highly Active ATRP Catalysts: Facile Synthesis and Characterization. Angew. Chem. Int. Ed. 2020, 59, 14910-14920. (Download)
17. Mehmood, A.*; Janesko, B. G., Extending the Marcus μ-Scale of Solvent Softness Using Conceptual Density Functional Theory and the Orbital Overlap Distance: Method and Application to Ionic Liquids. J. Solution Chem. 2020, 49, 614–628. (Download)
16. Mehmood, A.; Fahim, A.; Ahmed, M.; Noureen, S., Regioselectivity of Reduction of Nitro Groups in 3, 5-dinitrosalicylic Acid Monohydrate Explored by Experimental and Theoretical Charge Density Analysis. J. Mol. Struct. 2020, 1216 (4), 128483. (Download)
15. Hasil, A.; Mehmood, A.; Noureen, S.; Ahmed, M., Experimental and Theoretical Charge Density Analysis of Skin Whitening Agent Kojic Acid. J. Mol. Struct 2020, 1216 (4), 128295. (Download)
14. Sharma, V.; Mehmood, A.; Janesko, B. G.; Simanek, E. E., Efficient Syntheses of Macrocycles Ranging from 22–28 Atoms Through Spontaneous Dimerization to Yield bis-hydrazones. RSC Adv. 2020, 10 (6), 3217-3220. (Download)
13. Faroque, M. U.; Mehmood, A.; Noureen, S.; Ahmed, M., Crystal Engineering and Electrostatic Properties of Co-crystals of Pyrimethamine with Benzoic Acid and Gallic Acid. J. Mol. Struct. 2020, 75, 128183. (Download)
2019
12. Sharma, V.; Mehmood, A.; Janesko, B. G.; Simanek, E. E., A Hydrogen Bond and Strong Electron Withdrawing Group Lead to the Formation of Surprisingly Stable, Cyclic Hemiaminals. Tetrahedron Lett. 2019, 151334. (Download)
11. Kanwal, N.; Khan, I.U.; Sharif, S.; Hussain, E. A; Mehmood, A.; Sahin, O., Efficient Syntheses, Crystal Structure and Thermal Properties of Gabapentin 4-Acetamido, 2-Mesitylene and 2,4-Dinitro Sulfonamides Derivatives. J Chem Crystallogr. 2019,49, 162–168. (Download)
10. Hasil, A.; Mehmood, A.; Ahmed, M., Experimental and Theoretical Charge-Density Analysis of Hippuric Acid: Insight Into its Binding with Human Serum Albumin. Acta Cryst. B 2019, 75 (4), 750-762. (Download)
9. Yepremyan, A.; Mehmood, A.; Asgari, P.; Janesko, B. G.; Simanek, E. E., Synthesis of Macrocycles Derived from Substituted Triazines. ChemBioChem 2019, 20 (2), 241-246. (Download)
2018
8. Mehmood, A.; Jones, S. I.; Tao, P.; Janesko, B. G., An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps. J. Chem. Inf. Model. 2018, 58 (9), 1836-1846. (Download)
7. Mehmood, A.*; Janesko, B. G., Predicting Ion Mobility Collision Cross Sections Directly from Standard Quantum Chemistry Software. J. Mass Spectrom. 2018, 53 (5), 432-434. (Download)
6. Yepremyan, A.; Mehmood, A.; Brewer, S. M.; Barnett, M. M.; Janesko, B. G.; Akkaraju, G.; Simanek, E. E.; Green, K. N., A New Triazine Bearing a Pyrazolone Group Capable of Copper, Nickel, and Zinc Chelation. RSC Adv. 2018, 8 (6), 3024-3035. (Download)
2017
5. Mehmood, A.; Janesko, B. G., An Orbital-Overlap Complement to Atomic Partial Charge. Angew. Chem. Int. Ed. 2017, 56 (24), 6878-6881. (Download)
4. Kulikov, O. V.; Sevryugina, Y. V.; Mehmood, A.; Saraogi, I., Characterization of Aggregated Morphologies Derived from Mono- and Bis-arylbenzamides – Potential Alpha-helix Mimetics. New J. Chem. 2017, 41 (15), 7417-7423. (Download)
2016
3. Mehmood, A.*; Janesko, B. G., The Electron Delocalization Range in Stretched Bonds. Int. J. Quantum Chem 2016, 116 (23), 1783-1795. (Download)
Before 2016
2. Mehmood, A.*; Bano, S.; Fahim, A.; Parveen, R.; Khurshid, S., Efficient Removal of Crystal Violet and Eosin B from Aqueous Solution Using Syzygium Cumini Leaves: A Comparative Study of Acidic and Basic Dyes on a Single Adsorbent. Korean J. Chem. Eng. 2015, 32 (5), 882-895. (Download)
1. Khurshid, S.; Kausar, S.; Afzal, S.; Adnan, A.; Mehmood, A.; Arshad, M.; Bukhari, Z. A., Adsorption Study of Nymphaea Alba for the Removal of Manganese from Industrial Waste Water. Int. J. Phys. Sci. 2013, 8 (45), 2057-2062. (Download)