The topology of fullerenes
Schwerdtfeger, Peter, Wirz, Lukas N, Avery, James
Published in Wiley interdisciplinary reviews. Computational molecular science (01.01.2015)
Published in Wiley interdisciplinary reviews. Computational molecular science (01.01.2015)
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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 to C980
Wirz, Lukas N., Tonner, Ralf, Hermann, Andreas, Sure, Rebecca, Schwerdtfeger, Peter
Published in Journal of computational chemistry (05.01.2016)
Published in Journal of computational chemistry (05.01.2016)
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Journal Article
Magnetically Induced Current Densities in Toroidal Carbon Nanotubes
Reiter, Kevin, Weigend, Florian, Wirz, Lukas N, Dimitrova, Maria, Sundholm, Dage
Published in Journal of physical chemistry. C (20.06.2019)
Published in Journal of physical chemistry. C (20.06.2019)
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Journal Article
Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes
Wirz, Lukas N, Dimitrova, Maria, Fliegl, Heike, Sundholm, Dage
Published in Chemical physics letters (05.04.2018)
Published in Chemical physics letters (05.04.2018)
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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
Pechlaner, Maria, van Gunsteren, Wilfred F., Smith, Lorna J., Stankiewicz, Bartosz, Wirz, Lukas N., Hansen, Niels
Published in Journal of chemical information and modeling (24.06.2024)
Published in Journal of chemical information and modeling (24.06.2024)
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A method for designing a novel class of gold-containing molecules
Celaya, Christian A, Orozco-Ic, Mesías, Dimitrova, Maria, Wirz, Lukas N, Sundholm, Dage
Published in Chemical communications (Cambridge, England) (18.05.2020)
Published in Chemical communications (Cambridge, England) (18.05.2020)
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Structure and properties of the nonface-spiral fullerenes T-C₃₈₀, D₃-C₃₈₄, D₃-C₄₄₀, and D₃-C₆₇₂ and their halma and leapfrog transforms
Wirz, Lukas N, Tonner, Ralf, Avery, James, Schwerdtfeger, Peter
Published in Journal of chemical information and modeling (27.01.2014)
Published in Journal of chemical information and modeling (27.01.2014)
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Journal Article
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 to C^sub 980
Wirz, Lukas N, Tonner, Ralf, Hermann, Andreas, Sure, Rebecca, Schwerdtfeger, Peter
Published in Journal of computational chemistry (05.01.2016)
Get full text
Published in Journal of computational chemistry (05.01.2016)
Journal Article
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 C 980
Wirz, Lukas N., Tonner, Ralf, Hermann, Andreas, Sure, Rebecca, Schwerdtfeger, Peter
Published in Journal of computational chemistry (05.01.2016)
Published in Journal of computational chemistry (05.01.2016)
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Structure and Properties of the Nonface-Spiral Fullerenes T-C^sub 380^, D^sub 3^-C^sub 384^, D^sub 3^-C^sub 440^, and D^sub 3^-C^sub 672^ and Their Halma and Leapfrog Transforms
Wirz, Lukas N, Tonner, Ralf, Avery, James, Schwerdtfeger, Peter
Published in Journal of chemical information and modeling (27.01.2014)
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Published in Journal of chemical information and modeling (27.01.2014)
Journal Article
Structure and Properties of the Nonface-Spiral Fullerenes T -C 380 , D 3 -C 384 , D 3 -C 440 , and D 3 -C 672 and Their Halma and Leapfrog Transforms
Wirz, Lukas N., Tonner, Ralf, Avery, James, Schwerdtfeger, Peter
Published in Journal of chemical information and modeling (27.01.2014)
Published in Journal of chemical information and modeling (27.01.2014)
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