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The topology of fullerenes

Wiley interdisciplinary reviews. Computational molecular science, 2015-01, Vol.5 (1), p.96-145

2015

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Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes

Chemical physics letters, 2018-04, Vol.9 (7), p.1627-1632

2018

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Magnetically Induced Current Densities in Zinc Porphyrin Nanoshells

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-03, Vol.126 (12), p.1936-1945

2022

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Magnetically Induced Current Densities in π‐Conjugated Porphyrin Nanoballs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-11, Vol.126 (43), p.7864-7873

2022

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Magnetically Induced Current Densities in Toroidal Carbon Nanotubes

Journal of physical chemistry. C, 2019-06, Vol.123 (24), p.15354-15365

2019

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Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes

Journal of computational chemistry, 2013-06, Vol.34 (17), p.1508-1526

2013

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Novel hollow all-carbon structures

Nanoscale, 2015-10, Vol.7 (38), p.15886-15894

2015

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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

Journal of chemical information and modeling, 2024-06, Vol.64 (12), p.4781-4801

2024

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A method for designing a novel class of gold-containing molecules

Chemical communications (Cambridge, England), 2020-05, Vol.56 (4), p.5433-5436

2020

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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

Journal of computational chemistry, 2016-01, Vol.37 (1), p.10-17

2016

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Calculating the number of Hamilton cycles in layered polyhedral graphs

Computational and mathematical methods, 2021-07, Vol.3 (4), p.n/a

2021

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Naming polyhedra by general face-spirals - Theory and applications to fullerenes and other polyhedral molecules

Fullerenes, nanotubes, and carbon nanostructures, 2018-10, Vol.26 (10), p.607-630

2018

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Comment on “A Tensor-Free Method for the Structural and Dynamic Refinement of Proteins using Residual Dipolar Couplings”

The journal of physical chemistry. B, 2015-06, Vol.119 (25), p.8223-8224

2015

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Block-restraining of residual dipolar couplings to allow fluctuating relative alignments of molecular subdomains

Progress in biophysics and molecular biology, 2017-09, Vol.128, p.133-141

2017

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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

Journal of chemical information and modeling, 2014-01, Vol.54 (1), p.121-130

2014

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Fitting alignment tensor components to experimental RDCs, CSAs and RQCs

Journal of biomolecular NMR, 2015-05, Vol.62 (1), p.25-29

2015

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Novel hollow all-carbon structuresElectronic supplementary information (ESI) available: Cartesian coordinates of the studied molecules. See DOI: 10.1039/c5nr04370k

2015-09

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Quantum Chemical Study of the Enzymatic Repair of T(6-4)C/C(6-4)T UV-Photolesions by DNA Photolyases

Chemphyschem, 2013-08, Vol.14 (12), p.2817-2824

2013

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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 C^sub 980

Journal of computational chemistry, 2016-01, Vol.37 (1), p.10

2016

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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 G oldberg– C oxeter fullerenes up to C 980

Journal of computational chemistry, 2016-01, Vol.37 (1), p.10-17

2016

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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

Journal of chemical information and modeling, 2014-01, Vol.54 (1), p.121-130

2014

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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

Journal of chemical information and modeling, 2014-01, Vol.54 (1), p.121

2014

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Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes

The journal of physical chemistry letters, 2018-04, Vol.9 (7), p.1627-1632

2018

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Structure and Properties of the Nonface-Spiral Fullerenes T‐C380, D 3‐C384, D 3‐C440, and D3‐C672 and Their Halma and Leapfrog Transforms

Journal of chemical information and modeling, 2014-01, Vol.54 (1), p.121-130

2014

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The rough endoplasmatic reticulum is a central nucleation site of siRNA-mediated RNA silencing

The EMBO journal, 2013-04, Vol.32 (8), p.1115-1127

2013

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The topology of fullerenes

Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes

Magnetically Induced Current Densities in Zinc Porphyrin Nanoshells

Magnetically Induced Current Densities in π‐Conjugated Porphyrin Nanoballs

Magnetically Induced Current Densities in Toroidal Carbon Nanotubes

Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes

Novel hollow all-carbon structures

Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach

A method for designing a novel class of gold-containing molecules

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

Calculating the number of Hamilton cycles in layered polyhedral graphs

Naming polyhedra by general face-spirals - Theory and applications to fullerenes and other polyhedral molecules

Comment on “A Tensor-Free Method for the Structural and Dynamic Refinement of Proteins using Residual Dipolar Couplings”

Block-restraining of residual dipolar couplings to allow fluctuating relative alignments of molecular subdomains

Structure and properties of the nonface-spiral fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and their halma and leapfrog transforms

Fitting alignment tensor components to experimental RDCs, CSAs and RQCs

Novel hollow all-carbon structuresElectronic supplementary information (ESI) available: Cartesian coordinates of the studied molecules. See DOI: 10.1039/c5nr04370k

Quantum Chemical Study of the Enzymatic Repair of T(6-4)C/C(6-4)T UV-Photolesions by DNA Photolyases

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

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

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

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

Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes

Structure and Properties of the Nonface-Spiral Fullerenes T‐C380, D 3‐C384, D 3‐C440, and D3‐C672 and Their Halma and Leapfrog Transforms

The rough endoplasmatic reticulum is a central nucleation site of siRNA-mediated RNA silencing

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