A quinone based single-molecule switch as building block for molecular electronics
Früchtl, Herbert, van Mourik, Tanja
Published in Physical chemistry chemical physics : PCCP (28.01.2021)
Published in Physical chemistry chemical physics : PCCP (28.01.2021)
Get full text
Journal Article
Electronic excitation and electric field as switching mechanism for a single-molecule switch
Früchtl, Herbert, Robertson, Lorna M., van Mourik, Tanja
Published in Molecular physics (18.04.2023)
Published in Molecular physics (18.04.2023)
Get full text
Journal Article
Simulation of electrochemical properties of naturally occurring quinones
Kristensen, Sebastian Birkedal, van Mourik, Tanja, Pedersen, Tobias Bruun, Sørensen, Jens Laurids, Muff, Jens
Published in Scientific reports (11.08.2020)
Published in Scientific reports (11.08.2020)
Get full text
Journal Article
Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex
Zhang, Xiaotong, Barrow, John, van Mourik, Tanja, Bühl, Michael
Published in Molecules (Basel, Switzerland) (13.04.2023)
Published in Molecules (Basel, Switzerland) (13.04.2023)
Get full text
Journal Article
Response of the mechanical and chiral character of ethane to ultra‐fast laser pulses
Mi, Xiao Peng, Lu, Hui, Xu, Tianlv, Früchtl, Herbert, Mourik, Tanja, Paterson, Martin J., Kirk, Steven R., Jenkins, Samantha
Published in Journal of computational chemistry (30.01.2024)
Published in Journal of computational chemistry (30.01.2024)
Get full text
Journal Article
Halogen-Bonded Guanine Base Pairs, Quartets and Ribbons
Thornton, Nicholas J, van Mourik, Tanja
Published in International journal of molecular sciences (08.09.2020)
Published in International journal of molecular sciences (08.09.2020)
Get full text
Journal Article
Scoring molecular wires subject to an ultrafast laser pulse for molecular electronic devices
Lu, Hui, Azizi, Alireza, Mi, Xiao Peng, Wenjing, Yu, Peng, Yuting, Xu, Tianlv, Früchtl, Herbert, Mourik, Tanja, Kirk, Steven R., Jenkins, Samantha
Published in Journal of computational chemistry (05.08.2023)
Published in Journal of computational chemistry (05.08.2023)
Get full text
Journal Article
A data-mining approach to understanding the impact of multi-doping on the ionic transport mechanism of solid electrolytes materials: the case of dual-doped Ga0.15/Scy Li7La3Zr2O12
Cortés, Henry A, Bonilla, Mauricio R, Früchtl, Herbert, Tanja van Mourik, Carrasco, Javier, Akhmatskaya, Elena
Published in Journal of materials chemistry. A, Materials for energy and sustainability (27.02.2024)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (27.02.2024)
Get full text
Journal Article
Next generation quantum theory of atoms in molecules for the design of emitters exhibiting thermally activated delayed fluorescence with laser irradiation
Li, Zi, Yang, Yong, Xu, Tianlv, Früchtl, Herbert, Mourik, Tanja, Paterson, Martin J., Shigeta, Yasuteru, Kirk, Steven R., Jenkins, Samantha
Published in Journal of computational chemistry (30.01.2022)
Published in Journal of computational chemistry (30.01.2022)
Get full text
Journal Article
Chirality without Stereoisomers: Insight from the Helical Response of Bond Electrons
Xu, Tianlv, Nie, Xing, Li, Shuman, Yang, Yong, Früchtl, Herbert, Mourik, Tanja, Kirk, Steven R., Paterson, Martin J., Shigeta, Yasuteru, Jenkins, Samantha
Published in Chemphyschem (05.10.2021)
Published in Chemphyschem (05.10.2021)
Get full text
Journal Article
Influence of an electric‐field on the topological stability of the neutral lithium dimer
Feng, Xinxin, Azizi, Alireza, Xu, Tianlv, Yu, Wenjing, Mi, Xiaopeng, Lu, Hui, Früchtl, Herbert, Mourik, Tanja, Kirk, Steven R., Jenkins, Samantha
Published in International journal of quantum chemistry (15.09.2023)
Published in International journal of quantum chemistry (15.09.2023)
Get full text
Journal Article
The Cis-Effect Explained Using Next-Generation QTAIM
Peng, Yuting, Yu, Wenjing, Feng, Xinxin, Xu, Tianlv, Früchtl, Herbert, van Mourik, Tanja, Kirk, Steven R., Jenkins, Samantha
Published in Molecules (Basel, Switzerland) (18.09.2022)
Published in Molecules (Basel, Switzerland) (18.09.2022)
Get full text
Journal Article
Quinone‐based switches for candidate building blocks of molecular junctions with QTAIM and the stress tensor
Xu, Tianlv, Wang, Lingling, Ping, Yang, Mourik, Tanja, Früchtl, Herbert, Kirk, Steven R., Jenkins, Samantha
Published in International journal of quantum chemistry (15.08.2018)
Published in International journal of quantum chemistry (15.08.2018)
Get full text
Journal Article