lukas wirz
lukas wirz
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Titel
Zitiert von
Zitiert von
Jahr
The topology of fullerenes
P Schwerdtfeger, LN Wirz, J Avery
Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 96-145, 2015
137*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
812013
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
812013
Novel hollow all-carbon structures
D Sundholm, LN Wirz, P Schwerdtfeger
Nanoscale 7 (38), 15886-15894, 2015
202015
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
152016
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
122017
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
102014
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
9*2015
Fitting alignment tensor components to experimental RDCs, CSAs and RQCs
LN Wirz, JR Allison
Journal of biomolecular NMR 62 (1), 25-29, 2015
92015
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
72018
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
72013
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
52018
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
42019
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
2020
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
Block-restraining of residual dipolar couplings to allow fluctuating relative alignments of molecular subdomains
LN Wirz, JR Allison
Progress in biophysics and molecular biology 128, 133-141, 2017
2017
Fullerene (Version 4.5) A Program for the Topological Analysis of Fullerenes User’s Manual
P Schwerdtfeger, L Wirz, J Avery
2015
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
2015
Playing with Hexagons and Pentagons: Topological and Graph Theoretical Aspects of Fullerenes
P Schwerdtfeger, O Ori, L Wirz, J Avery
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