1. Analysis of newly synthesized disulfides of aryldithiocarbonates and vanadium(V) and niobium(V) complexes of aryldithiocarbonates based on spectroscopic, thermogravimetric, SEM and DFT studies. (2nd January 2020) Authors: Andotra, Savit; Syed, Atiya; Kumar, Sandeep; Kour, Mandeep; Vikas, ; Chayawan, ; Pandey, Sushil K. Journal: Molecular physics Issue: Volume 118:Number 1(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Catalyst free enantioselective amination via SN2 nucleophilic substitution reaction: a computational study. Issue 12 (12th August 2020) Authors: Singh, Amritpal; Chayawan, ; Mehta, S. K.; Singh, Kulvinder Journal: Molecular simulation Issue: Volume 46:Issue 12(2020) Page Start: 942 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Catalyst free enantioselective amination via SN2 nucleophilic substitution reaction: a computational study. Issue 12 (12th August 2020) Authors: Singh, Amritpal; Chayawan, ; Mehta, S. K.; Singh, Kulvinder Journal: Molecular simulation Issue: Volume 46:Issue 12(2020) Page Start: 942 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Exploration of structural requirements for azole chemicals towards human aromatase CYP19A1 activity: Classification modeling, structure-activity relationships and read-across study. (June 2022) Authors: Caballero Alfonso, Ana Y.; Mora Lagares, Liadys; Novic, Marjana; Benfenati, Emilio; Kumar, Anil; Chayawan, Journal: Toxicology in vitro Issue: Volume 81(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Highly Selective Aminopyrazine‐Based Colorimetric Probe for "Naked‐Eye" Detection of Al3+: Experimental, Computational Studies and Applications in Molecular Logic Circuits. Issue 2 (13th January 2023) Authors: Sharma, Shivani; Chayawan, ; Jayaraman, Adithyan; Debnath, Joy; Ghosh, Kalyan Sundar Journal: ChemistrySelect Issue: Volume 8:Issue 2(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Quantum-mechanical parameters for the risk assessment of multi-walled carbon-nanotubes: A study using adsorption of probe compounds and its application to biomolecules. (November 2016) Authors: Chayawan, ; Vikas, Journal: Environmental pollution Issue: Volume 218(2016) Page Start: 615 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Quantum-mechanical parameters for the risk assessment of multi-walled carbon-nanotubes: A study using adsorption of probe compounds and its application to biomolecules. (November 2016) Authors: Chayawan, ; Vikas, Journal: Environmental pollution Issue: Volume 218(2016) Page Start: 615 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Single-descriptor based quantum-chemical QSPRs for physico-chemical properties of polychlorinated-dibenzo-p-dioxins and -dibenzo-furans (PCDD/Fs): Exploring the role of electron-correlation. (January 2015) Authors: Vikas, ; Chayawan, Journal: Chemosphere Issue: Volume 118(2015) Page Start: 239 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Skin sensitization quantitative QSAR models based on mechanistic structural alerts. (28th February 2022) Authors: Chayawan, ; Selvestrel, Gianluca; Baderna, Diego; Toma, Cosimo; Caballero Alfonso, Ana Yisel; Gamba, Alessio; Benfenati, Emilio Journal: Toxicology Issue: Volume 468(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗