1. A catalyzed E/Z isomerization mechanism of stilbene using para-benzoquinone as a triplet sensitizer. Issue 3 (5th January 2022) Authors: Nakatani, Kaho; Sato, Hirofumi; Fukuda, Ryoichi Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1712 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A machine learning approach for predicting the nucleophilicity of organic molecules. Issue 3 (5th January 2022) Authors: Saini, Vaneet; Sharma, Aditya; Nivatia, Dhruv Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1821 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A molecular insight into the photophysics of barbituric acid, a candidate for canonical nucleobases' ancestor. Issue 3 (4th January 2022) Authors: Romeo-Gella, Fernando; Arpa, Enrique M.; Corral, Inés Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1405 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A plethora of isomerization processes and hydrogen scrambling in the fragmentation of the methanol dimer cation: a PEPICO study. Issue 3 (5th January 2022) Authors: Wu, Xiangkun; Zhou, Xiaoguo; Bjelić, Saša; Hemberger, Patrick; Sztáray, Bálint; Bodi, Andras Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1437 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Activation of CO2 and CH4 on MgO surfaces: mechanistic insights from first-principles theory. Issue 3 (4th January 2022) Authors: Manae, Meghna A.; Dheer, Lakshay; Rai, Sandhya; Shetty, Sharan; Waghmare, Umesh V. Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1415 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Back cover. Issue 3 (21st January 2022) Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1901 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations. Issue 3 (5th January 2022) Authors: Liang, Shanshan; Liu, Xinguo; Zhang, Shaolong; Li, Meng; Zhang, Qinggang; Chen, Jianzhong Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1743 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Calorimetric effect and thermokinetics in the formation process of a deep eutectic solvent. Issue 3 (4th January 2022) Authors: Lan, Xue; Dong, Yan Tao; Mu, Tiancheng; Lan, Xiao Zheng Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1399 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. CASPT2 molecular geometries of Fe(ii) spin-crossover complexes. Issue 3 (4th January 2022) Authors: Finney, Brian A.; Chowdhury, Sabyasachi Roy; Kirkvold, Clara; Vlaisavljevich, Bess Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1390 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Comment on "High-temperature superconductivity in transition metallic hydrides MH11 (M = Mo, W, Nb, and Ta) under high pressure" by M. Du, Z. Zhang, H. Song, H. Yu, T. Cui, V. Z. Kresinc and D. Duan, Phys. Chem. Chem. Phys., 2021, 23, 6717. Issue 3 (10th January 2022) Authors: Zheng, X. H.; Zheng, J. X. Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 3(2021) Page Start: 1896 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗