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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 12, 2014
Density functional theory across chemistry, physics and biologyTanja van Mourik, Michael Bühl, Marie-Pierre GaigeotThe Journal of Physical Chemistry. A|January 6, 2006
Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculationsTanja van Mourik, Panagiotis G Karamertzanis, Sarah L PriceJournal of Chemical Theory and Computation|November 20, 2015
Computational Studies of Bridging Structures and Isomerism in Substituted DisilynesLukasz M Serafin, Mark M Law, Tanja van MourikMolecules (Basel, Switzerland)|April 28, 2023
Towards Computational Modeling of Ligand Binding to the ILPR G-QuadruplexXiaotong Zhang, John Barrow, Tanja van Mourik, et al.The Journal of Chemical Physics|January 21, 2012
Low-energy electron scattering with the purine bases of DNA/RNA using the R-matrix methodAmar Dora, Lilianna Bryjko, Tanja van Mourik, et al.The Journal of Chemical Physics|May 2, 2009
R-matrix calculation of low-energy electron collisions with uracilAmar Dora, Jonathan Tennyson, Lilianna Bryjko, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 14, 2011
Modelling zwitterions in solution: 3-fluoro-γ-aminobutyric acid (3F-GABA)Jie Cao, Ragnar Bjornsson, Michael Bühl, et al.Physical Chemistry Chemical Physics : PCCP|May 18, 2016
A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structureDarren A Smith, Leo F Holroyd, Tanja van Mourik, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 30, 2009
The structure of (SCN)(x): a study using molecular and solid-state density functional theory calculationsHerbert A Früchtl, Tanja van Mourik, Chris J Pickard, et al.Angewandte Chemie (International Ed. in English)|June 28, 2022
Umpolung of an Aliphatic Ketone to a Magnesium Ketone-1,2-diide Complex with Vicinal Dianionic ChargeStuart Burnett, Connor Bourne, Alexandra M Z Slawin, et al.Pageof 6