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Journal Articles
- 2024
[j13]Xiao Peng Mi, Hui Lu, Tianlv Xu, Herbert Früchtl
, Tanja Van Mourik, Martin J. Paterson, Steven R. Kirk, Samantha Jenkins:
Response of the mechanical and chiral character of ethane to ultra-fast laser pulses. J. Comput. Chem. 45(3): 150-158 (2024)- 2023
- [j12]Hui Lu, Alireza Azizi, Xiao Peng Mi, Wenjing Yu, Yuting Peng, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Steven R. Kirk, Samantha Jenkins:
Scoring molecular wires subject to an ultrafast laser pulse for molecular electronic devices. J. Comput. Chem. 44(21): 1776-1785 (2023) - 2022
- [j11]Zi Li, Yong Yang, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Martin J. Paterson, Yasuteru Shigeta, Steven R. Kirk, Samantha Jenkins:
Next generation quantum theory of atoms in molecules for the design of emitters exhibiting thermally activated delayed fluorescence with laser irradiation. J. Comput. Chem. 43(3): 206-214 (2022) - [j10]Wenjing Yu, Zi Li, Yuting Peng, Xinxin Feng, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Steven R. Kirk, Samantha Jenkins:
Controlling Achiral and Chiral Properties with an Electric Field: A Next-Generation QTAIM Interpretation. Symmetry 14(10): 2075 (2022) - 2020
- [j9]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) - 2019
- [j8]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
- [j7]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) - [j6]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) - [j5]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) - [j4]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) - 2007
- [j3]Samantha Jenkins, Steven R. Kirk:
An Investigation of Merging and Collapsing of Software Networks. Adv. Complex Syst. 10(3): 379-393 (2007) - [j2]Samantha Jenkins, Steven R. Kirk:
Software architecture graphs as complex networks: A novel partitioning scheme to measure stability and evolution. Inf. Sci. 177(12): 2587-2601 (2007) - 2004
- [j1]Steven R. Kirk, Samantha Jenkins:
Information theory-based software metrics and obfuscation. J. Syst. Softw. 72(2): 179-186 (2004)
Informal and Other Publications
- 2010
- [i1]Chang Xu, Steven R. Kirk, Samantha Jenkins:
Tiling for Performance Tuning on Different Models of GPUs. CoRR abs/1001.1718 (2010)
Coauthor Index
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