1. "Ideal correlations" for biological activity of peptides. (July 2019) Authors: Toropov, Andrey A.; Toropova, Alla P.; Leszczynska, Danuta; Leszczynski, Jerzy Journal: Bio systems Issue: Volume 181(2019) Page Start: 51 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. 4d and 5d bimetal doped tubular silicon clusters Si12M2 with M = Nb, Ta, Mo and W: a bimetallic configuration model. Issue 4 (12th January 2017) Authors: Pham, Hung Tan; Majumdar, Devashis; Leszczynski, Jerzy; Nguyen, Minh Tho Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 4(2017) Page Start: 3115 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A comprehensive test of computational approaches for evaluation of cyclodextrin complexes. Self-inclusion in monosubstituted β-cyclodextrins – a case study. Issue 35 (31st August 2017) Authors: Lukin, Oleg; Dolgonos, Grygoriy; Leszczynski, Jerzy Journal: Tetrahedron Issue: Volume 73:Issue 35(2017) Page Start: 5302 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. 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) ↗
5. A techno-economic analysis of solar catalytic chemical looping biomass refinery for sustainable production of high purity hydrogen. (1st September 2021) Authors: Sajjadi, Baharak; Chen, Wei-Yin; Fan, Maohong; Rony, Asif; Saxe, Jennie; Leszczynski, Jerzy; Righetti, Tara K. Journal: Energy conversion and management Issue: Volume 243(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Accurate calculations of dynamic first hyperpolarizability: Construction of physically justified slater‐type basis sets. Issue 11 (6th February 2014) Authors: Rossikhin, Vladimir; Voronkov, Eugene; Okovytyy, Sergiy; Sergeieva, Tetiana; Kapusta, Karina; Leszczynski, Jerzy Journal: International journal of quantum chemistry Issue: Volume 114:Issue 11(2014:Jun. 05) Page Start: 689 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. 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) ↗
8. 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) ↗
9. 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) ↗
10. Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549 cells. (September 2021) Authors: Toropova, Alla P.; Toropov, Andrey A.; Leszczynska, Danuta; Leszczynski, Jerzy Journal: Computers in biology and medicine Issue: Volume 136(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗