The topology of fullerenes P Schwerdtfeger, LN Wirz, J Avery Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 96-145, 2015 | 252* | 2015 |
Program fullerene: a software package for constructing and analyzing structures of regular fullerenes P Schwerdtfeger, L Wirz, J Avery Journal of computational chemistry 34 (17), 1508-1526, 2013 | 118 | 2013 |
Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes P Schwerdtfeger, L Wirz, J Avery Journal of computational chemistry 34 (17), 1508-1526, 2013 | 118 | 2013 |
On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability LN Wirz, SS Reine, TB Pedersen Journal of chemical theory and computation 13 (10), 4897-4906, 2017 | 35 | 2017 |
Novel hollow all-carbon structures D Sundholm, LN Wirz, P Schwerdtfeger Nanoscale 7 (38), 15886-15894, 2015 | 29 | 2015 |
Magnetically Induced Current Densities in Toroidal Carbon Nanotubes K Reiter, F Weigend, LN Wirz, M Dimitrova, D Sundholm The Journal of Physical Chemistry C 123 (24), 15354-15365, 2019 | 22 | 2019 |
Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes LN Wirz, M Dimitrova, H Fliegl, D Sundholm The journal of physical chemistry letters 9 (7), 1627-1632, 2018 | 19 | 2018 |
From small fullerenes to the graphene limit: A harmonic force‐field method for fullerenes and a comparison to density functional calculations for Goldberg–Coxeter fullerenes up … LN Wirz, R Tonner, A Hermann, R Sure, P Schwerdtfeger Journal of computational chemistry 37 (1), 10-17, 2016 | 18 | 2016 |
Comment on “A tensor-free method for the structural and dynamic refinement of proteins using residual dipolar couplings” LN Wirz, JR Allison The Journal of Physical Chemistry B 119 (25), 8223-8224, 2015 | 13* | 2015 |
Fitting alignment tensor components to experimental RDCs, CSAs and RQCs LN Wirz, JR Allison Journal of biomolecular NMR 62 (1), 25-29, 2015 | 12 | 2015 |
Structure and Properties of the Nonface-Spiral Fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and Their Halma and Leapfrog Transforms LN Wirz, R Tonner, J Avery, P Schwerdtfeger Journal of Chemical Information and Modeling 54 (1), 121-130, 2014 | 12 | 2014 |
Naming polyhedra by general face-spirals–Theory and applications to fullerenes and other polyhedral molecules LN Wirz, P Schwerdtfeger, JE Avery Fullerenes, Nanotubes and Carbon Nanostructures 26 (10), 607-630, 2018 | 11 | 2018 |
Quantum Chemical Study of the Enzymatic Repair of T (6‐4) C/C (6‐4) T UV‐Photolesions by DNA Photolyases S Faraji, L Wirz, A Dreuw ChemPhysChem 14 (12), 2817-2824, 2013 | 8 | 2013 |
Magnetically Induced Current Densities in Zinc Porphyrin Nanoshells A Mahmood, M Dimitrova, LN Wirz, D Sundholm The Journal of Physical Chemistry A 126 (12), 1936-1945, 2022 | 6 | 2022 |
A method for designing a novel class of gold-containing molecules CA Celaya, M Orozco-Ic, M Dimitrova, LN Wirz, D Sundholm Chemical Communications 56 (40), 5433-5436, 2020 | 4 | 2020 |
Magnetically Induced Current Densities in π-Conjugated Porphyrin Nanoballs A Mahmood, M Dimitrova, LN Wirz, D Sundholm The Journal of Physical Chemistry A 126 (43), 7864-7873, 2022 | 3 | 2022 |
Calculating the number of Hamilton cycles in layered polyhedral graphs LN Wirz, P Schwerdtfeger, J Avery Computational and Mathematical Methods 3 (4), e1142, 2021 | 2 | 2021 |
Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings: a thesis presented in partial … LN Wirz Massey University, 2015 | 1 | 2015 |
Playing with Hexagons and Pentagons: Topological and Graph Theoretical Aspects of Fullerenes P Schwerdtfeger, O Ori, L Wirz, J Avery | 1* | |
Magnetically Induced Current Densities in Toroidal Carbon Nanotubes M Dimitrova, DMB Sundholm, LN Wirz, K Reiter, F Weigend Journal of Physical Chemistry C, 2019 | | 2019 |