1. A DFT study of 5-fluorouracil adsorption on the pure and doped BN nanotubes. (November 2015) Authors: Soltani, Alireza; Baei, Mohammad T.; Tazikeh Lemeski, E.; Kaveh, Sara; Balakheyli, Hanzaleh Journal: Journal of physics and chemistry of solids Issue: Volume 86(2015:Nov.) Page Start: 57 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Ab Initio and DFT Studies of Conformational Properties of Heteroatom Containing Ketene Analogues and Their Comparison with the Related Cyclic Analogues. Issue 1 (2012) Authors: Sayyed-Alangi, S. Zahra; Baei, Mohammad T. Journal: E-Journal of Chemistry Issue: Volume 9:Issue 1(2012) Page Start: 193 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Adsorption of sarin and chlorosarin onto the Al12N12 and Al12P12 nanoclusters: DFT and TDDFT calculations. (12th July 2020) Authors: Sedighi, Sima; Baei, Mohammad T.; Javan, Masoud; Ince, Joshua Charles; Soltani, Alireza; Jokar, Mohammad Hassan; Tavassoli, Samaneh Journal: Surface and interface analysis Issue: Volume 52:Number 11(2020) Page Start: 725 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Adsorption properties of hydrazine on pristine and Si-doped Al12N12 nano-cage. (3rd May 2016) Authors: Baei, Mohammad T.; Soltani, Alireza; Hashemian, Saeedeh Journal: Phosphorus, sulfur, and silicon and the related elements Issue: Volume 191:Number 5(2016) Page Start: 702 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Adsorption Properties of O2 onCr5 Nanostructures: A DFT Study. Issue 3 (2011) Authors: Baei, Mohammad T.; Babaheydari, Ali Kazemi; Torabi, Parviz Journal: E-Journal of Chemistry Issue: Volume 8:Issue 3(2011) Page Start: 982 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Adsorption Properties of Oxygen on H-Capped (5, 5) Boron Nitride Nanotube (BNNT)- A Density Functional Theory. Issue 2 (2011) Authors: Baei, Mohammad T.; Kaveh, F.; Torabi, P.; Sayyad- Alangi, S. Zahra Journal: E-Journal of Chemistry Issue: Volume 8:Issue 2(2011) Page Start: 609 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Characterization of C20 fullerene and its isolated C20‐nGen derivatives (n = 1‐5) by alternating germanium atom(s) in equatorial position: A DFT survey. Issue 1 (27th February 2018) Authors: Baei, Mohammad T.; Koohi, Maryam; Shariati, Minoo Journal: Heteroatom chemistry Issue: Volume 29:Issue 1(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Chrysin flavonoid adsorbed on B12N12 nanocage ‐ A novel antioxidant nanomaterial. Issue 2 (24th April 2021) Authors: Khalili, Atefeh; Baei, Mohammad T.; Ghaboos, Seyed Hossein Hosseini Journal: Vietnam journal of chemistry Issue: Volume 59:Issue 2(2021) Page Start: 211 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Effects of Zinc Binding on the Structure and Stability of Glycylglycine Dipeptide: A Computational Study. Issue 3 (2012) Authors: Baei, Mohammad T.; Sayyad-Alangi, S. Zahra Journal: E-Journal of Chemistry Issue: Volume 9:Issue 3(2012) Page Start: 1244 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. First‐Principles Study of NO2 Adsorption on C20 Fullerene. Issue 6 (28th October 2013) Authors: Baei, Mohammad T. Journal: Heteroatom chemistry Issue: Volume 24:Issue 6(2013:Nov.) Page Start: 516 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗