1. A density functional theory study of the simplest adsorption forms of perfluorooctanoic and perfluorooctanesulphonic acids by graphene oxide and fluorinated graphene oxide*. (18th October 2022) Authors: Gorb, Leonid; Ilchenko, Mykola; Leszczynski, Jerzy Journal: Molecular physics Issue: Volume 120:Number 19/20(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Adsorption of 2, 4, 6, 8, 10, 12-hexanitro-2, 4, 6, 8, 10, 12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study. (April 2016) Authors: Sviatenko, Liudmyla K.; Gorb, Leonid; Shukla, Manoj K.; Seiter, Jennifer M.; Leszczynska, Danuta; Leszczynski, Jerzy Journal: Chemosphere Issue: Volume 148(2016) Page Start: 294 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Adsorption of nitrogen-containing compounds on hydroxylated α-quartz surfaces. Issue 62 (7th November 2019) Authors: Tsendra, Oksana; Boese, A. Daniel; Isayev, Olexandr; Gorb, Leonid; Scott, Andrea Michalkova; Hill, Frances C.; Ilchenko, Mykola M.; Lobanov, Victor; Leszczynska, Danuta; Leszczynski, Jerzy Journal: RSC advances Issue: Volume 9:Issue 62(2019) Page Start: 36066 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Alkaline hydrolysis of hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine: M06-2X investigation. (September 2015) Authors: Sviatenko, Liudmyla K.; Gorb, Leonid; Hill, Frances C.; Leszczynska, Danuta; Okovytyy, Sergiy I.; Leszczynski, Jerzy Journal: Chemosphere Issue: Volume 134(2015) Page Start: 31 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05‐2X computational study. Issue 14 (3rd March 2015) Authors: Sviatenko, Liudmyla K.; Isayev, Olexandr; Gorb, Leonid; Hill, Frances C.; Leszczynska, Danuta; Leszczynski, Jerzy Journal: Journal of computational chemistry Issue: Volume 36:Issue 14(2015) Page Start: 1029 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Diffusion of energetic compounds through biological membrane: Application of classical MD and COSMOmic approximations. Issue 1 (2nd January 2019) Authors: Golius, Anastasiia; Gorb, Leonid; Isayev, Olexander; Leszczynski, Jerzy Journal: Journal of biomolecular structure & dynamics Issue: Volume 37:Issue 1(2019) Page Start: 247 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Experimental and computational study of membrane affinity for selected energetic compounds. (April 2016) Authors: Golius, Anastasiia; Gorb, Leonid; Michalkova Scott, Andrea; Hill, Frances C.; Shukla, Manoj; Goins, A. Benjamin; Johnson, David R.; Leszczynski, Jerzy Journal: Chemosphere Issue: Volume 148(2016) Page Start: 322 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. In vivo toxicity of nitroaromatics: A comprehensive quantitative structure–activity relationship study. (21st March 2017) Authors: Gooch, Aminah; Sizochenko, Natalia; Rasulev, Bakhtiyor; Gorb, Leonid; Leszczynski, Jerzy Journal: Environmental toxicology and chemistry Issue: Volume 36:Number 8(2017) Page Start: 2227 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility. Issue 22 (24th June 2016) Authors: Klimenko, Kyrylo; Kuz'min, Victor; Ognichenko, Liudmila; Gorb, Leonid; Shukla, Manoj; Vinas, Natalia; Perkins, Edward; Polishchuk, Pavel; Artemenko, Anatoly; Leszczynski, Jerzy Journal: Journal of computational chemistry Issue: Volume 37:Issue 22(2016) Page Start: 2045 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Phase diagrams and mechanical properties of TiC-SiC solid solutions from first-principles. (September 2019) Authors: Mediukh, N.R.; Ivashchenko, V.I.; Turchi, P.E.A.; Shevchenko, V.I.; Leszczynski, Jerzy; Gorb, Leonid Journal: Calphad Issue: Volume 66(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗