Samantha Jenkins (S Jenkins)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 15

Top Topics

Transition Metal

Molecular Dynamics

Electron Transfer

Top Venues

Journal of computational chemistry

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Hui Lu, Alireza Azizi, Xiao Peng Mi, Yu Wenjing, 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. Journal of computational chemistry (2023)
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. Journal of computational chemistry (2023)
Steven Robert Kirk, Samantha Jenkins
Tools for overcoming reliance on energy-based measures in chemistry: a tutorial review. Chemical Society reviews (2023)
Tianlv Xu, Xing Nie, Shuman Li, Yong Yang, Herbert Früchtl, Tanja van Mourik, Steven R Kirk, Martin J Paterson, Yasuteru Shigeta, Samantha Jenkins
Chirality without Stereoisomers: Insight from the Helical Response of Bond Electrons. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (19) (2021)
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. Journal of computational chemistry 43 (3) (2021)
Tian Tian, Tianlv Xu, Steven R Kirk, Ian Tay Rongde, Yong Boon Tan, Sergei Manzhos, Yasuteru Shigeta, Samantha Jenkins
Intramolecular mode coupling of the isotopomers of water: a non-scalar charge density-derived perspective. Physical chemistry chemical physics : PCCP 22 (4) (2020)
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. Journal of computational chemistry 41 (9) (2019)
Tianlv Xu, Roya Momen, Alireza Azizi, Tanja van Mourik, Herbert Früchtl, Steven Robert Kirk, Samantha Jenkins
The destabilization of hydrogen bonds in an external E-field for improved switch performance. Journal of computational chemistry 40 (21) (2019)
Thomas Malcomson, Alireza Azizi, Roya Momen, Tianlv Xu, Steven Robert Kirk, Martin J Paterson, Samantha Jenkins
Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene. The journal of physical chemistry. A 123 (38) (2019)
Tianlv Xu, Jia Hui Li, Roya Momen, Wei Jie Huang, Steven Robert Kirk, Yasuteru Shigeta, Samantha Jenkins
Chirality-Helicity Equivalence in the S and R Stereoisomers: A Theoretical Insight. Journal of the American Chemical Society 141 (13) (2019)
Ming Xing 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. Journal of computational chemistry 37 (29) (2018)
Lingling Wang, Guo Huan, Roya Momen, Alireza Azizi, Tianlv Xu, Steven R Kirk, Michael Filatov, Samantha Jenkins
QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor. The journal of physical chemistry. A 121 (25) (2017)
Tianlv Xu, James Farrell, Yuning Xu, Roya Momen, Steven R Kirk, Samantha Jenkins, David J Wales
QTAIM and stress tensor interpretation of the (H2 O)5 potential energy surface. Journal of computational chemistry 37 (31) (2016)
Huan Guo, 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. Journal of computational chemistry 37 (31) (2016)
D Jiajun, J R Maza, Y Xu, T Xu, R Momen, S R Kirk, Samantha Jenkins
A stress tensor and QTAIM perspective on the substituent effects of biphenyl subjected to torsion. Journal of computational chemistry 37 (28) (2016)