2121. A DFT Study of Single‐Atom Catalysis of CO Oxidation Using Carbon‐Embedded Hexagonal Boron Nitride Monolayer. Issue 25 (6th July 2018) Authors: Esrafili, Mehdi D.; Rad, Farzad Arjomandi Journal: ChemistrySelect Issue: Volume 3:Issue 25(2018) Page Start: 7402 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2122. A DFT study of the adsorption energy and electronic interactions of the SO2 molecule on a CoP hydrotreating catalyst. Issue 5 (13th January 2021) Authors: Bahamon, Daniel; Khalil, Malathe; Belabbes, Abderrezak; Alwahedi, Yasser; Vega, Lourdes F.; Polychronopoulou, Kyriaki Journal: RSC advances Issue: Volume 11:Issue 5(2021) Page Start: 2947 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2123. A DFT study of the adsorption energy and electronic interactions of the SO2 molecule on a CoP hydrotreating catalyst. Issue 5 (13th January 2021) Authors: Bahamon, Daniel; Khalil, Malathe; Belabbes, Abderrezak; Alwahedi, Yasser; Vega, Lourdes F.; Polychronopoulou, Kyriaki Journal: RSC advances Issue: Volume 11:Issue 5(2021) Page Start: 2947 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2124. A DFT study of the adsorption of O2 and H2O on Al(111) surfaces. Issue 61 (13th June 2016) Authors: Wei, Xin; Dong, Chaofang; Chen, Zhanghua; Xiao, Kui; Li, Xiaogang Journal: RSC advances Issue: Volume 6:Issue 61(2016) Page Start: 56303 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2125. A DFT study of the chemical and optical properties of 7-atom Ag–X [X = Li, Na] nanoalloys for potential applications in opto-electronics and catalysis. Issue 119 (19th November 2015) Authors: Debnath, Shaikat; Said, Suhana Mohd; Rabilloud, Franck; Chatterjee, Abhijit; Roslan, Muhammad Faris; Mainal, Azizah; Mahmood, Mohamad Syafie Journal: RSC advances Issue: Volume 5:Issue 119(2015) Page Start: 98583 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2126. A DFT Study of the Conversion of Ptaquiloside, a Bracken Fern Carcinogen, to Pterosin B in Neutral and Acidic Aqueous Medium. Issue 26 (18th September 2017) Authors: Ríos‐Gutiérrez, Mar; Domingo, Luis R.; Alonso‐Amelot, Miguel E. Journal: ChemistrySelect Issue: Volume 2:Issue 26(2017) Page Start: 8178 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2127. A DFT study of the role of the Lewis acid catalysts in the [3 + 2] cycloaddition reaction of the electrophilic nitrone isomer of methyl glyoxylate oxime with nucleophilic cyclopentene1. Issue 79 (28th August 2015) Authors: Nacereddine, Abdelmalek Khorief; Layeb, Hatem; Chafaa, Fouad; Yahia, Wassila; Djerourou, Abdelhafid; Domingo, Luis Ramon Journal: RSC advances Issue: Volume 5:Issue 79(2015) Page Start: 64098 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2128. A DFT Study of the Structures and Photoelectric Properties of Benzodithiophene‐Based Molecules by Replacing Sulfur with a Variety of Heteroatoms (O, N, P, Si, Se). Issue 13 (10th May 2017) Authors: Li, Shan; Li, Yuanzuo; Song, Peng; Ma, Fengcai; Yang, Yanhui Journal: ChemistrySelect Issue: Volume 2:Issue 13(2017) Page Start: 3838 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2129. A DFT study on an alkali atom doped decahedral silver nanocluster for potential application in opto-electronics and catalysis. Issue 10 (6th February 2015) Authors: Debnath, Shaikat; Mohd Said, Suhana; Roslan, Muhammad Faris; Mohd Sabri, Mohd Faizul; Long, Bui Duc Journal: RSC advances Issue: Volume 5:Issue 10(2015) Page Start: 7665 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2130. A DFT Study on CuH‐Catalyzed Reductive Relay Hydroamination for Synthesis of Remote‐Chiral Amine. Issue 7 (20th February 2018) Authors: Gao, Yun; Wang, Ping; Zhao, Yang; Liu, Qingyun; Liu, Wei; Wang, Yong Journal: ChemistrySelect Issue: Volume 3:Issue 7(2018) Page Start: 2157 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗