1. A versatile single-ion electrolyte with a Grotthuss-like Li conduction mechanism for dendrite-free Li metal batteries. Issue 9 (25th July 2019) Authors: Yuan, Shouyi; Bao, Junwei Lucas; Wei, Jishi; Xia, Yongyao; Truhlar, Donald G.; Wang, Yonggang Journal: Energy & environmental science Issue: Volume 12:Issue 9(2019) Page Start: 2741 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. All‐Organic Rechargeable Battery with Reversibility Supported by "Water‐in‐Salt" Electrolyte. Issue 11 (27th January 2017) Authors: Dong, Xiaoli; Yu, Hongchuan; Ma, Yuanyuan; Bao, Junwei Lucas; Truhlar, Donald G.; Wang, Yonggang; Xia, Yongyao Journal: Chemistry Issue: Volume 23:Issue 11(2017) Page Start: 2560 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Analytic gradients for compressed multistate pair-density functional theory. (18th October 2022) Authors: Bao, Jie J.; Hermes, Matthew R.; Scott, Thais R.; Sand, Andrew M.; Lindh, Roland; Gagliardi, Laura; Truhlar, Donald G. 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) ↗
4. Anharmonic kinetics of the cyclopentane reaction with hydroxyl radical. Issue 9 (3rd February 2020) Authors: Wu, Junjun; Gao, Lu Gem; Ren, Wei; Truhlar, Donald G. Journal: Chemical science Issue: Volume 11:Issue 9(2020) Page Start: 2511 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Assessment of electronic structure methods for the determination of the ground spin states of Fe(ii), Fe(iii) and Fe(iv) complexes. Issue 20 (9th May 2017) Authors: Verma, Pragya; Varga, Zoltan; Klein, Johannes E. M. N.; Cramer, Christopher J.; Que, Lawrence; Truhlar, Donald G. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 20(2017) Page Start: 13049 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Berichtigung: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e, 2e) Ionization Experiments. (21st July 2020) Authors: Truhlar, Donald G.; Hiberty, Philippe C.; Shaik, Sason; Gordon, Mark S.; Danovich, David Journal: Angewandte Chemie Issue: Volume 132:Number 31(2020) Page Start: 12674 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Bioinspired mechanically interlocking holey graphene@SiO2 anode. Issue 4 (5th July 2022) Authors: Wang, Fei; Liao, Xiaobin; Wang, Haoyu; Zhao, Yan; Mao, Jian; Truhlar, Donald G. Journal: Interdisciplinary materials Issue: Volume 1:Issue 4(2022) Page Start: 517 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?. Issue 20 (5th May 2017) Authors: Verma, Pragya; Truhlar, Donald G. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 20(2017) Page Start: 12898 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Challenges for large scale simulation: general discussion. (23rd November 2020) Authors: Brandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csányi, Gábor; David, Grégoire; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-François; Mehta, Nisha; Mulay, Manasi R... Journal: Faraday discussions Issue: Volume 224(2020) Page Start: 309 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. ChemInform Abstract: B2N2O4: Prediction of a Magnetic Ground State for a Light Main‐Group Molecule. Issue 45 (November 2015) Authors: Varga, Zoltan; Truhlar, Donald G. Journal: ChemInform Issue: Volume 46:Issue 45(2015) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗