Skeletal Rearrangements of the C240 Fullerene: Efficient Topological Descriptors for Monitoring Stone–Wales Transformations

Generalized topological efficiency – case study with C84 fullerene

(2020) Andrey A. Dobrynin et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems

(2020) Valerij Kuznetsov   MOLECULES

Volume of the Fullerene Cages of Endofullerenes and Hydrogenated Endofullerenes with Encapsulated Atoms of Noble Gases and Nonadditivity of Their Polarizability

(2020) A. D. Zakirova et al.   Russian Journal of Physical Chemistry A

Role of Fullerene–Nitrogen Complexes of Alkali Metals in C60-Catalyzed Nitrogen Fixation

(2020) A. F. Shestakov   Russian Journal of Physical Chemistry A

Sonochemical synthesis of novel C60 fullerene 1,4-oxathiane derivative through the intermediate fullerene radical anion

(2020) Zemfira S. Kinzyabaeva et al.   ULTRASONICS SONOCHEMISTRY

Carbon Nano-Onions: A Review of Recent Progress in Synthesis and Applications

(2019) Marta E. Plonska-Brzezinska   ChemNanoMat

Fragmentation and slow autoneutralization of isolated negative molecular ions of phthalocyanine and tetraphenylporphyrin

(2019) Rustem V. Khatymov et al.   JOURNAL OF CHEMICAL PHYSICS

The increase in the fullerene cage volume upon its chemical functionalization

(2019) Denis Sh. Sabirov et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

CF 2 ‐Functionalized Trifluoromethylated Fullerene C 70 (CF 3 ) 8 (CF 2 ): Structure, Electronic Properties, and Spontaneous Oxidation at the Bridgehead Carbon Atoms

(2019) Natalia S. Lukonina et al.   Asian Journal of Organic Chemistry

Rules of fullerene polarizability

(2019) Denis Sh. Sabirov   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Isomers of the C84 fullerene: A theoretical consideration within energetic, structural, and topological approaches

(2018) Denis Sh. Sabirov et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

On the upper bound of the thermodynamic stability of fullerenes from small to giant

(2018) Evgeniy Yu Pankratyev et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Simulation of Potentially Possible Reactions at the Initial Stages of Free-Radical Polymerization of Styrene and Methyl Methacrylate in the Presence of Fullerene C60

(2018) D. R. Diniakhmetova et al.   POLYMER SCIENCE SERIES B

Comprehensive theoretical study of all 1812 C60 isomers

(2017) Rebecca Sure et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum chemical analysis of the mechanism of the participation of C60 fullerene in the radical polymerization of styrene and mma initiated by benzoyl peroxide or azobisisobutyronitrile

(2017) D. R. Diniakhmetova et al.   Russian Journal of Physical Chemistry B

Are there reliable DFT approaches for13C NMR chemical shift predictions of fullerene C60derivatives?

(2016) Arthur R. Tulyabaev et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Quantum chemical modeling of the addition reactions of 1-n-phenylpropyl radicals to C60fullerene

(2016) Diana Radikovna Diniakhmetova et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Atomic Level Distributed Strain within Graphene Divacancies from Bond Rotations

(2015) Qu Chen et al.   ACS Nano

Compression of Methane Endofullerene CH4@C60as a Potential Route to Endohedral Covalent Fullerene Derivatives: A DFT Study

(2015) Denis Sh. Sabirov et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Information Entropy of Fullerenes

(2015) Denis Sh. Sabirov et al.   Journal of Chemical Information and Modeling

Giving credit where credit is due: The Stone–(Thrower)–Wales designation revisited

(2014) Marc Monthioux et al.   CARBON

Structural, electronic and energetic properties of giant icosahedral fullerenes up to C6000: insights from an ab initio hybrid DFT study

(2014) Yves Noël et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Inverted thermochemistry of “norbornadiene–quadricyclane” molecular system inside fullerene nanocages

(2014) Denis Sh. Sabirov et al.   Computational and Theoretical Chemistry

The topology of fullerenes

(2014) Peter Schwerdtfeger et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Viruses and fullerenes – symmetry as a common thread?

(2014) Pierre-Philippe Dechant et al.   Acta Crystallographica A-Foundation and Advances

Formation Mechanism of C60under Nonequilibrium and Irreversible Conditions — An Annotation

(2012) Eiji Ōsawa   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Static and dynamic polarizability of C540 fullerene

(2012) Patrizia Calaminici et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Isolation and structural characterization of the most highly trifluoromethylated C70fullerenes: C70(CF3)18and C70(CF3)20

(2012) D. V. Ignat'eva et al.   NEW JOURNAL OF CHEMISTRY

Influence of the charge on the volumes of nanoscale cages (carbon and boron-nitridefullerenes, Ge9z−Zintl ions, and cubic Fe4S4clusters)

(2012) Denis Sh. Sabirov et al.   RSC Advances

Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments

(2011) Ottorino Ori et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

How reliable are GIAO calculations of 1H and 13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level

(2011) Evgeniy Yu. Pankratyev et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Guided Carbon Nanocapsules for Hydrogen Storage

(2011) Mikhail V. Suyetin et al.   Journal of Physical Chemistry C

From Point Defects in Graphene to Two-Dimensional Amorphous Carbon

(2011) J. Kotakoski et al.   PHYSICAL REVIEW LETTERS

Topological efficiency of C66 fullerene

(2010) Damir Vukicevic et al.   CHEMICAL PHYSICS LETTERS

Reactivity of Fullerene Derivatives C60O and C60F18(C3v) in Terms of Local Curvature and Polarizability

(2010) D. Sh. Sabirov et al.   FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES

Cones, Pringles, and Grain Boundary Landscapes in Graphene Topology

(2010) Yuanyue Liu et al.   NANO LETTERS

1,3-Dipolar addition reactions to fullerenes: the role of the local curvature of carbon surface

(2010) D. Sh. Sabirov et al.   RUSSIAN CHEMICAL BULLETIN

Electronic structure and static dipole polarizability of C60@C240

(2008) Rajendra R Zope   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Dislocations in graphene

(2008) Ana Carpio et al.   NEW JOURNAL OF PHYSICS

Static dielectric response of icosahedral fullerenes fromC60toC2160characterized by an all-electron density functional theory

(2008) Rajendra R. Zope et al.   PHYSICAL REVIEW B

Reactivity of fullerene C60

(2008) A. F. Shestakov   RUSSIAN JOURNAL OF GENERAL CHEMISTRY