Tanja Van Mourik

15 papers Journal 15
YearRankTypeTitle / Venue / Authors
2025 J jnl
A Geometric Berry Phase Angle Induced in Im-3m H3S at 200 GPa by Ultra-Fast Laser Pulses.
Symmetry
Genwei Hong, Xinjie Zhou, Huan He, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Yaxin Zhai, Steven R. Kirk, Samantha Jenkins
2024 J jnl
Response of the mechanical and chiral character of ethane to ultra-fast laser pulses.
J. Comput. Chem.
Xiao Peng Mi, Hui Lu, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Martin J. Paterson, Steven R. Kirk, Samantha Jenkins
2023 J jnl
Scoring molecular wires subject to an ultrafast laser pulse for molecular electronic devices.
J. Comput. Chem.
Hui Lu, Alireza Azizi, Xiao Peng Mi, Wenjing Yu, Yuting Peng, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Steven R. Kirk, Samantha Jenkins
2022 J jnl
Controlling Achiral and Chiral Properties with an Electric Field: A Next-Generation QTAIM Interpretation.
Symmetry
Wenjing Yu, Zi Li, Yuting Peng, Xinxin Feng, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Steven R. Kirk, Samantha Jenkins
2022 J jnl
Next generation quantum theory of atoms in molecules for the design of emitters exhibiting thermally activated delayed fluorescence with laser irradiation.
J. Comput. Chem.
Zi Li, Yong Yang, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Martin J. Paterson, Yasuteru Shigeta, Steven R. Kirk, Samantha Jenkins
2020 J jnl
Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devices.
J. Comput. Chem.
Alireza Azizi, Roya Momen, Herbert Früchtl, Tanja Van Mourik, Steven R. Kirk, Samantha Jenkins
2019 J jnl
Halogen bonding in mono- and dihydrated halobenzene.
J. Comput. Chem.
Simon W. L. Hogan, Tanja Van Mourik
2019 J jnl
Halogen bonding with the halogenabenzene bird structure, halobenzene, and halocyclopentadiene.
J. Comput. Chem.
Emma L. Cates, Tanja Van Mourik
2019 J jnl
The destabilization of hydrogen bonds in an external E-field for improved switch performance.
J. Comput. Chem.
Tianlv Xu, Roya Momen, Alireza Azizi, Tanja Van Mourik, Herbert Früchtl, Steven R. Kirk, Samantha Jenkins
2017 J jnl
Corrigendum: Competition between Hydrogen and Halogen Bonding in Halogenated 1-Methyluracil: Water Systems.
J. Comput. Chem.
Simon W. L. Hogan, Tanja Van Mourik
2016 J jnl
Are the Sublimation Thermodynamics of Organic Molecules Predictable?
J. Chem. Inf. Model.
James L. McDonagh, David S. Palmer, Tanja Van Mourik, John B. O. Mitchell
2016 J jnl
Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: Water systems.
J. Comput. Chem.
Simon W. L. Hogan, Tanja Van Mourik
2014 J jnl
Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules.
J. Chem. Inf. Model.
James L. McDonagh, Neetika Nath, Luna De Ferrari, Tanja Van Mourik, John B. O. Mitchell
2012 J jnl
DNA base stacking: The stacked uracil/uracil and thymine/thymine minima.
J. Comput. Chem.
Ruairidh S. Hunter, Tanja Van Mourik
2008 J jnl
Comment on "Aromatic-Backbone Interactions in Model alpha-Helical Peptides" [Palermo et al., J Comput Chem 2007, 28, 1208].
J. Comput. Chem.
Tanja Van Mourik