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2020 – today
- 2020
[j6]Alireza Azizi
, Roya Momen, Herbert Früchtl, Tanja Van Mourik, Steven R. Kirk, Samantha Jenkins:
Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devices. J. Comput. Chem. 41(9): 913-921 (2020)
2010 – 2019
- 2019
- [j5]Tianlv Xu, Roya Momen, Alireza Azizi, Tanja Van Mourik, Herbert Früchtl, Steven R. Kirk, Samantha Jenkins:
The destabilization of hydrogen bonds in an external E-field for improved switch performance. J. Comput. Chem. 40(21): 1881-1891 (2019) - 2016
- [j4]Jiajun Dong, Julio R. Maza, Yuning Xu, Tianlv Xu, Roya Momen, Steven R. Kirk, Samantha Jenkins:
A stress tensor and QTAIM perspective on the substituent effects of biphenyl subjected to torsion. J. Comput. Chem. 37(28): 2508-2517 (2016) - [j3]Mingxing Hu, Tianlv Xu, Roya Momen, Guo Huan, Steven R. Kirk, Samantha Jenkins, Michael Filatov:
A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor. J. Comput. Chem. 37(29): 2588-2596 (2016) - [j2]Tianlv Xu, James Farrell, Yuning Xu, Roya Momen, Steven R. Kirk, Samantha Jenkins, David J. Wales:
QTAIM and stress tensor interpretation of the (H2O)5 potential energy surface. J. Comput. Chem. 37(31): 2712-2721 (2016) - [j1]Guo Huan, Alejandro Morales-Bayuelo, Tianlv Xu, Roya Momen, Lingling Wang, Ping Yang, Steven R. Kirk, Samantha Jenkins:
Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM. J. Comput. Chem. 37(31): 2722-2733 (2016)
Coauthor Index
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