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Projects
Recent Publications
Quantum Chemical Investigation of Snow-Mercury Interactions and Their Implication of Mercury Deposition in the Arctic
Ali, E., Patel, N., Patel, S. & Asaduzzaman, A., Mar 23 2023, In: Journal of Physical Chemistry A. 127, 11, p. 2554-2563 10 p.Research output: Contribution to journal › Article › peer-review
Deposition and Reduction of Oxidized Mercury on the Ice Surface: Quantum-Chemical Study and Implication of Mercury Activities in the Arctic
Vogelsong, L., Fuentes, J. D. & Asaduzzaman, A., Feb 9 2023, In: Journal of Physical Chemistry C. 127, 5, p. 2657-2665 9 p.Research output: Contribution to journal › Article › peer-review
Atomic-Scale Etching Mechanism of Aluminum with Fluorine-Based Plasma
Asaduzzaman, A., Aug 25 2022, In: Journal of Physical Chemistry C. 126, 33, p. 14180-14186 7 p.Research output: Contribution to journal › Article › peer-review
A First-Principles Investigation of Lithium and Sodium Ion Diffusion in C60 Molecular Solids
Gorelik, R., Asaduzzaman, A., Manga, V. R., Thakur, A. & Muralidharan, K., Mar 10 2022, In: Journal of Physical Chemistry C. 126, 9, p. 4259-4266 8 p.Research output: Contribution to journal › Article › peer-review
Structural, energetic and vibrational properties of oxidized mercury in the gas and aqueous phases
Amin, S., Asif, T., Khan, M., Usinowicz, E., Mitra, D. & Asaduzzaman, A., Apr 2021, In: Computational and Theoretical Chemistry. 1198, 113186.Research output: Contribution to journal › Article › peer-review
Density Functional Theory Driven Analysis of the Interplay among Structure, Composition, and Oxidation State of Titanium in Hibonite, Spinel, and Perovskite
Asaduzzaman, A., Muralidharan, K. & Zega, T. J., Mar 18 2021, In: ACS Earth and Space Chemistry. 5, 3, p. 544-552 9 p.Research output: Contribution to journal › Article › peer-review
Hydrogen Isotope Fractionation in the Talc-Serpentine-Brucite-Water System: Theoretical Studies and Implications
Asaduzzaman, A. & Ganguly, J., Apr 15 2021, In: ACS Earth and Space Chemistry. 5, 4, p. 880-889 10 p.Research output: Contribution to journal › Article › peer-review
Effect of Ligand Adsorption on the Electronic Properties of the PbS(100) Surface
Asaduzzaman, A., Runge, K., Deymier, P. & Muralidharan, K., Nov 10 2020, In: Langmuir. 36, 44, p. 13312-13319 8 p.Research output: Contribution to journal › Article › peer-review
The hydration of periclase: Atomistic insights from quantum-chemical look
Asaduzzaman, A., Apr 1 2020, In: Chemical Physics. 532, 110694.Research output: Contribution to journal › Article › peer-review
Environmental Mercury Chemistry - In Silico
Asaduzzaman, A., Riccardi, D., Afaneh, A. T., Cooper, C. J., Smith, J. C., Wang, F., Parks, J. M. & Schreckenbach, G., Feb 19 2019, In: Accounts of Chemical Research. 52, 2, p. 379-388 10 p.Research output: Contribution to journal › Article › peer-review
Hydrogen Isotope Fractionation in the Epidote-Hydrogen and Epidote-Water Systems: Theoretical Study and Implications
Asaduzzaman, A. & Ganguly, J., Oct 18 2018, In: ACS Earth and Space Chemistry. 2, 10, p. 1029-1034 6 p.Research output: Contribution to journal › Article › peer-review
The role of aluminum substitution on the stability of substituted polyhedral oligomeric silsesquioxanes
Asaduzzaman, A., Runge, K., Deymier, P. A. & Muralidharan, K., May 28 2016, In: Zeitschrift fur Physikalische Chemie. 230, 5-7, p. 1005-1014 10 p.Research output: Contribution to journal › Article › peer-review
Microstructural analysis of Wark-Lovering rims in the Allende and Axtell CV3 chondrites: Implications for high-temperature nebular processes
Bolser, D., Zega, T. J., Asaduzzaman, A., Bringuier, S., Simon, S. B., Grossman, L., Thompson, M. S. & Domanik, K. J., Apr 1 2016, In: Meteoritics and Planetary Science. 51, 4, p. 743-756 14 p.Research output: Contribution to journal › Article › peer-review
A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders
Sadat, M. R., Bringuier, S., Asaduzzaman, A., Muralidharan, K. & Zhang, L., Oct 7 2016, In: Journal of Chemical Physics. 145, 13, 134706.Research output: Contribution to journal › Article › peer-review
An atomistic characterization of the interplay between composition, structure and mechanical properties of amorphous geopolymer binders
Sadat, M. R., Bringuier, S., Muralidharan, K., Runge, K., Asaduzzaman, A. & Zhang, L., Feb 15 2016, In: Journal of Non-Crystalline Solids. 434, p. 53-61 9 p.Research output: Contribution to journal › Article › peer-review