7831. Ab initio and first principles theoretical investigations of triplet–triplet fluorescence in trimethylenemethane biradicals. Issue 87 (5th September 2016) Authors: Matsui, Yasunori; Usui, Kosuke; Ikeda, Hiroshi; Irle, Stephan Journal: RSC advances Issue: Volume 6:Issue 87(2016) Page Start: 83668 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7832. Ab initio calculation of halide ligand passivation on PbSe quantum dot facets. Issue 106 (2nd November 2016) Authors: Wang, B.; Xia, H.; Zhang, Z.; Yang, J.; Patterson, R.; Huang, S.; Shrestha, S.; Conibeer, G. Journal: RSC advances Issue: Volume 6:Issue 106(2016) Page Start: 104699 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7833. Ab initio calculation of halide ligand passivation on PbSe quantum dot facets. Issue 106 (2nd November 2016) Authors: Wang, B.; Xia, H.; Zhang, Z.; Yang, J.; Patterson, R.; Huang, S.; Shrestha, S.; Conibeer, G. Journal: RSC advances Issue: Volume 6:Issue 106(2016) Page Start: 104699 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7834. Ab initio conical intersections for the Si(1D) + H2 reaction system: a lowest five singlet states study. Issue 20 (20th February 2017) Authors: Wu, Yanan; Zhang, Chunfang; Ma, Haitao Journal: RSC advances Issue: Volume 7:Issue 20(2017) Page Start: 12074 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7835. Ab Initio Density Functional Theory Investigation of the Interaction between Carbon Nanotubes and Water Molecules during Water Desalination Process. (5th November 2013) Authors: Elalfy, Loay A.; Hassan, Walid M. I.; Akl, Wael N. Other Names: Xu Yang Academic Editor. Journal: Journal of chemistry Issue: Volume 2013(2013) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7836. Ab initio insight into the electrolysis of water on basal and edge (fullerene C20) surfaces of 4 Å single-walled carbon nanotubes. Issue 52 (22nd November 2022) Authors: Jiang, Zhen; Intan, Nadia N.; Yang, Qiong Journal: RSC advances Issue: Volume 12:Issue 52(2022) Page Start: 33552 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7837. Ab initio investigation of electronic structure and optical properties of IrSn4. Issue 28 (16th June 2022) Authors: Mai, Thi Ly; Tran, Vinh Hung Journal: RSC advances Issue: Volume 12:Issue 28(2022) Page Start: 17882 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7838. Ab initio investigation on the stability of H-6 Carbon. Issue 81 (17th August 2016) Authors: Fthenakis, Zacharias G. Journal: RSC advances Issue: Volume 6:Issue 81(2016) Page Start: 78187 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7839. Ab initio investigations on the gas phase basicity and nonlinear optical properties of FLinOH species (n = 2–5)1. Issue 91 (9th October 2015) Authors: Srivastava, Ambrish Kumar; Misra, Neeraj Journal: RSC advances Issue: Volume 5:Issue 91(2015) Page Start: 74206 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7840. Ab initio kinetics predictions for the role of pre-reaction complexes in hydrogen abstraction from 2-butanone by OH radicals. Issue 55 (8th September 2020) Authors: Gao, Yi; Zhao, Yang; Guan, Qingbao; Wang, Fuke Journal: RSC advances Issue: Volume 10:Issue 55(2020) Page Start: 33205 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗