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Lukas N. Wirz

Observed names: Lukas N Wirz, Lukas Wirz, Wirz, Lukas
ORCID: 0000-0002-6577-7166
Observed ORCID: 0000-0002-6577-7166
OpenAlex ID: A5076695819
The topology of fullerenes
2014 · Peter Schwerdtfeger, Lukas N Wirz, et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 226
Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes
2013 · Peter Schwerdtfeger, Lukas Wirz, et al. · Journal of Computational Chemistry · 111
On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability
2017 · Lukas N. Wirz, Simen S. Reine, et al. · Journal of Chemical Theory and Computation · 36
Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes
2018 · Lukas N. Wirz, Maria Dimitrova, et al. · The Journal of Physical Chemistry Letters · 33
Novel hollow all-carbon structures
2015 · Dage Sundholm, Lukas N. Wirz, et al. · Nanoscale · 33
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Magnetically Induced Current Densities in Toroidal Carbon Nanotubes
2019 · Kevin Reiter, Florian Weigend, et al. · The Journal of Physical Chemistry C · 25
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Naming polyhedra by general face-spirals – Theory and applications to fullerenes and other polyhedral molecules
2017 · Lukas N. Wirz, Peter Schwerdtfeger, et al. · Fullerenes Nanotubes and Carbon Nanostructures · 13
From small fullerenes to the graphene limit: A harmonic force‐field method for fullerenes and a comparison to density functional calculations for G oldberg– C oxeter fullerenes up to C980
2015 · Lukas N. Wirz, Ralf Tonner, et al. · Journal of Computational Chemistry · 13
Fitting alignment tensor components to experimental RDCs, CSAs and RQCs
2015 · Lukas N. Wirz, Jane R. Allison · Journal of Biomolecular NMR · 13
Structure and Properties of the Nonface-Spiral Fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and Their Halma and Leapfrog Transforms
2013 · Lukas N. Wirz, Ralf Tonner, et al. · Journal of Chemical Information and Modeling · 12
Comment on “A Tensor-Free Method for the Structural and Dynamic Refinement of Proteins using Residual Dipolar Couplings”
2015 · Lukas N. Wirz, Jane R. Allison · The Journal of Physical Chemistry B · 10
Magnetically Induced Current Densities in Zinc Porphyrin Nanoshells
2022 · Atif Mahmood, Maria Dimitrova, et al. · The Journal of Physical Chemistry A · 9
Quantum Chemical Study of the Enzymatic Repair of T(6‐4)C/C(6‐4)T UV‐Photolesions by DNA Photolyases
2013 · Shirin Faraji, Lukas Wirz, et al. · ChemPhysChem · 8
A method for designing a novel class of gold-containing molecules
2020 · Christian A. Celaya, Mesías Orozco-Ic, et al. · Chemical Communications · 7
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Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach
2024 · Maria Pechlaner, Wilfred F. van Gunsteren, et al. · Journal of Chemical Information and Modeling · 6
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Magnetically Induced Current Densities in π-Conjugated Porphyrin Nanoballs
2022 · Atif Mahmood, Maria Dimitrova, et al. · The Journal of Physical Chemistry A · 5
Calculating the number of Hamilton cycles in layered polyhedral graphs
2020 · Lukas N. Wirz, Peter Schwerdtfeger, et al. · Computational and Mathematical Methods · 3
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Correction to “Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach”
2025 · Maria Pechlaner, Wilfred F. van Gunsteren, et al. · Journal of Chemical Information and Modeling
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Block-restraining of residual dipolar couplings to allow fluctuating relative alignments of molecular subdomains
2017 · Lukas N. Wirz, Jane R. Allison · Progress in Biophysics and Molecular Biology
Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings : a thesis presented in partial fulfilment of the requirements for the degree of Doctor of Philosophy at Massey University, Albany, New Zealand
2015 · Lukas N. Wirz · Massey Research Online (Massey University)
Works count: 23
Citation count: 567
H-index: 10
I10-index: 11
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