1. Ab Initio Metadynamics Simulations of Hexafluoroisopropanol Solvent Effects: Synergistic Role of Solvent H‐Bonding Networks and Solvent‐Solute C−H/π Interactions. Issue 17 (16th February 2023) Authors: Hu, Xinmin; Zhao, Xia; Lv, Xiangying; Wu, Yan‐Bo; Bu, Yuxiang; Lu, Gang Journal: Chemistry Issue: Volume 29:Issue 17(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Computational exploration of substrate and ligand effects in nickel-catalyzed C–Si bond carboxylation with CO2. Issue 21 (20th September 2019) Authors: Lv, Xiangying; Zhang, Xiaotian; Sa, Rongjian; Huang, Fang; Lu, Gang Journal: Organic chemistry frontiers Issue: Volume 6:Issue 21(2019) Page Start: 3629 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Computational insights into strain-increase allylborations for alkylidenecyclopropanes. Issue 50 (1st June 2022) Authors: Hu, Lingfei; Gao, Han; Hu, Yanlei; Lv, Xiangying; Wu, Yan-Bo; Lu, Gang Journal: Chemical communications Issue: Volume 58:Issue 50(2022) Page Start: 7034 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Computational studies on the Rh-catalyzed carboxylation of a C(sp2)–H bond using CO2. Issue 16 (25th July 2017) Authors: Lv, Xiangying; Zhang, Linhui; Sun, Beibei; Li, Zhi; Wu, Yan-Bo; Lu, Gang Journal: Catalysis science & technology Issue: Volume 7:Issue 16(2017) Page Start: 3539 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Computational study of Cu-catalyzed 1, 2-hydrocarboxylation of 1, 3-dienes with CO2: Pauli repulsion-controlled regioselectivity of Cu–Bpin additions. Issue 8 (18th March 2022) Authors: Hu, Yanlei; Hu, Lingfei; Gao, Han; Lv, Xiangying; Wu, Yan-Bo; Lu, Gang Journal: Organic chemistry frontiers Issue: Volume 9:Issue 8(2022) Page Start: 2240 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Computational study of silver-catalyzed stereoselective hydroalkylation of alkynes: Pauli repulsion controlled Z/E selectivity. Issue 52 (4th June 2021) Authors: Hu, Lingfei; Gao, Han; Hu, Yanlei; Lv, Xiangying; Wu, Yan-Bo; Lu, Gang Journal: Chemical communications Issue: Volume 57:Issue 52(2021) Page Start: 6412 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. How the electron-deficient Cp ligand facilitates Rh-catalyzed annulations with alkynes. Issue 4 (10th January 2022) Authors: Gao, Han; Hu, Lingfei; Hu, Yanlei; Lv, Xiangying; Wu, Yan-Bo; Lu, Gang Journal: Organic chemistry frontiers Issue: Volume 9:Issue 4(2022) Page Start: 979 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Mechanism of Co(iii)-catalyzed annulation of N-chlorobenzamide with styrene and origin of cyclopentadienyl ligand-controlled enantioselectivity. Issue 7 (22nd February 2023) Authors: Gao, Han; Wang, Wujie; Lv, Xiangying; Lu, Gang; Li, Yuliang Journal: Organic chemistry frontiers Issue: Volume 10:Issue 7(2023) Page Start: 1643 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Metal-free homolytic hydrogen activation: a quest through density functional theory computations. (15th July 2016) Authors: Zhang, Chenggen; Lv, Xiangying; Lu, Gang; Wang, Zhi-Xiang Journal: New journal of chemistry Issue: Volume 40:Number 9(2016:Sep.) Page Start: 8141 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Origin of ligand effects on reactivities of pincer-Pd catalyzed hydrocarboxylation of allenes and alkenes with formate salts: a computational study. Issue 11 (15th May 2018) Authors: Lv, Xiangying; Huang, Fang; Wu, Yan-Bo; Lu, Gang Journal: Catalysis science & technology Issue: Volume 8:Issue 11(2018) Page Start: 2835 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗