Abu Asaduzzaman

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Recent Publications

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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-review