| 1 |
Next generation QTAIM for the design of quinone-based switches
Tian T, Xu T, van Mourik T, Fruchtl H, Kirk SR, Jenkins S
Chemical Physics Letters, 722, 110, 2019 |
| 2 |
Consequences of theory level choice evaluated with new tools from QTAIM and the stress tensor for a dipeptide conformer
Li JH, Xu TL, Ping Y, van Mourik T, Fruchtl H, Kirk SR, Jenkins S
Chemical Physics Letters, 696, 42, 2018 |
| 3 |
Stacking with the unnatural DNA base 6-ethynylpyridone
Gibson DJ, van Mourik T
Chemical Physics Letters, 668, 7, 2017 |
| 4 |
A QTAIM exploration of the competition between hydrogen and halogen bonding in halogenated 1-methyluracil: Water systems
Huan G, Xu TL, Momen R, Wang LL, Ping Y, Kirk SR, Jenkins S, van Mourik T
Chemical Physics Letters, 662, 67, 2016 |
| 5 |
Tyrosine-glycine revisited: Resolving the discrepancy between theory and experiment
Holroyd LF, van Mourik T
Chemical Physics Letters, 621, 124, 2015 |
| 6 |
Conformational Structure of Tyrosine, Tyrosyl-glycine, and Tyrosyl-glycyl-glycine by Double Resonance Spectroscopy
Abo-Riziq A, Grace L, Crews B, Callahan MP, van Mourik T, de Vries MS
Journal of Physical Chemistry A, 115(23), 6077, 2011 |
| 7 |
Performance of the M06-L density functional for a folded Tyr-Gly conformer
Cao J, van Mourik T
Chemical Physics Letters, 485(1-3), 40, 2010 |
| 8 |
Comment on'To stack or not to stack: Performance of a new density functional for the uracil and thymine dimers' [Chem. Phys. Lett. 459 (2008) 164]
van Mourik T
Chemical Physics Letters, 473(1-3), 206, 2009 |
| 9 |
On the Mechanism of the Mutagenic Action of 5-Bromouracil: A DFT Study of Uracil and 5-Bromouracil in a Water Cluster
Danilov VI, van Mourik T, Kurita N, Wakabayashi H, Tsukamoto T, Hovorun DM
Journal of Physical Chemistry A, 113(11), 2233, 2009 |
| 10 |
Basis Set Superposition Error Effects Cause the Apparent Nonexistence of the Ethene/Benzenium Ion Complex on the MP2 Potential Energy Surface
van Mourik T
Journal of Physical Chemistry A, 112(44), 11017, 2008 |
