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Journal Articles
- 2024
[j14]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
- [j13]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
- [j12]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) - [j11]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
- [j10]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
- [j9]Simon W. L. Hogan, Tanja Van Mourik:
Halogen bonding in mono- and dihydrated halobenzene. J. Comput. Chem. 40(3): 554-561 (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) - [j7]Emma L. Cates, Tanja Van Mourik:
Halogen bonding with the halogenabenzene bird structure, halobenzene, and halocyclopentadiene. J. Comput. Chem. 40(24): 2111-2118 (2019) - 2017
- [j6]Simon W. L. Hogan, Tanja Van Mourik:
Corrigendum: Competition between Hydrogen and Halogen Bonding in Halogenated 1-Methyluracil: Water Systems. J. Comput. Chem. 38(12): 933 (2017) - 2016
- [j5]Simon W. L. Hogan, Tanja Van Mourik:
Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: Water systems. J. Comput. Chem. 37(8): 763-770 (2016) - [j4]James L. McDonagh, David S. Palmer, Tanja Van Mourik, John B. O. Mitchell:
Are the Sublimation Thermodynamics of Organic Molecules Predictable? J. Chem. Inf. Model. 56(11): 2162-2179 (2016) - 2014
- [j3]James L. McDonagh, Neetika Nath, Luna De Ferrari, Tanja Van Mourik, John B. O. Mitchell:
Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules. J. Chem. Inf. Model. 54(3): 844-856 (2014) - 2012
- [j2]Ruairidh S. Hunter, Tanja Van Mourik:
DNA base stacking: The stacked uracil/uracil and thymine/thymine minima. J. Comput. Chem. 33(27): 2161-2172 (2012) - 2008
- [j1]Tanja Van Mourik:
Comment on "Aromatic-Backbone Interactions in Model alpha-Helical Peptides" [Palermo et al., J Comput Chem 2007, 28, 1208]. J. Comput. Chem. 29(1): 1-3 (2008)
Coauthor Index
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