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D. Sharapa · SciRah

Researcher profile · Semantic Scholar

D. Sharapa

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D. Sharapa — researcher profile on SciRah

h-index: 12
Works: 56
Citations: 528

Most-cited papers

Moderate Surface Segregation Promotes Selective Ethanol Production in CO2 Hydrogenation Reaction over CoCu Catalysts.
Si-Hang Liu, Cheng-Sheng Yang, Shenjun Zha, D. Sharapa +3 more
2021Angewandte Chemie73 citations
Semantic Scholar
Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling
D. Sharapa, D. Doronkin, F. Studt, J. Grunwaldt +1 more
2019Advances in Materials46 citations Open access
Semantic Scholar
Application of Semiempirical Methods to Transition Metal Complexes: Fast Results but Hard-to-Predict Accuracy.
Y. Minenkov, D. Sharapa, L. Cavallo
2018Journal of Chemical Theory and Computation45 citations
Semantic Scholar
Fullerene van der Waals oligomers as electron traps.
T. Shubina, D. Sharapa, Christina Schubert, D. Zahn +6 more
2014Journal of the American Chemical Society45 citations
Semantic Scholar
Highly Regioselective Alkylation of Hexabenzocoronenes: Fundamental Insights into the Covalent Chemistry of Graphene
Johannes Holzwarth, K. Amsharov, D. Sharapa, D. Reger +6 more
2017Angewandte Chemie26 citations Open access
Semantic Scholar
Thermal Defect-Engineering of Precious Group Metal-Organic Frameworks: A Case Study on Ru/Rh-HKUST-1 Analogues.
W. R. Heinz, I. Agirrezabal-Telleria, Raphael Junk, J. Berger +11 more
2020ACS Applied Materials and Interfaces24 citations Open access
Semantic Scholar
Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different Levels of Quantum Theory.
D. Sharapa, J. Margraf, A. Hesselmann, T. Clark
2017Journal of Chemical Theory and Computation24 citations
Semantic Scholar
Following the Structural Changes of Iron Oxides during Reduction under Transient Conditions
Lukas Braun, Jonas Spielmann, D. Doronkin, C. Kuhn +9 more
2024ChemSusChem21 citations Open access
Semantic Scholar
Conformationally restricted GABA analogs: from rigid carbocycles to cage hydrocarbons.
I. Levandovskiy, D. Sharapa, T. V. Shamota, V. N. Rodionov +1 more
2011Future Medicinal Chemistry19 citations
Semantic Scholar
The chemistry of D3-trishomocubane
I. Levandovsky, D. Sharapa, O. A. Cherenkova, A. Gaidai +1 more
201018 citations Open access
Semantic Scholar
Application of classical simulations for the computation of vibrational properties of free molecules.
D. Tikhonov, D. Sharapa, Jan Schwabedissen, V. Rybkin
2016Physical Chemistry, Chemical Physics - PCCP14 citations Open access
Semantic Scholar
Coronenohelicenes with Dynamic Chirality
Corinna Weiss, D. Sharapa, A. Hirsch
2020Chemistry12 citations Open access
Semantic Scholar
The Mechanism of Cyclodehydrofluorination on γ‐Alumina
D. Sharapa, A. Steiner, K. Amsharov
2018physica status solidi (b)12 citations
Semantic Scholar
Cubic C8 : An Observable Allotrope of Carbon?
D. Sharapa, A. Hirsch, B. Meyer, T. Clark
2015ChemPhysChem12 citations
Semantic Scholar
Axial D3-trishomocubane Derivatives with Potential: Dreams or Reality?
D. Sharapa, I. Levandovskiy, T. Shubina
201212 citations
Semantic Scholar
A Convenient Road to 1-Chloropentacycloundecanes – A Joint Experimental and Computational Investigation
D. Sharapa, Alexander V. Gayday, Alena G. Mitlenko, I. Levandovskiy +1 more
201111 citations
Semantic Scholar
Discovering the role of substrate in aldehyde hydrogenation
S. Cattaneo, Sofia Capelli, M. Stucchi, Filippo Bossola +8 more
2021Journal of Catalysis10 citations Open access
Semantic Scholar
π‐Extended Diaza[7]helicenes by Hybridization of Naphthalene Diimides and Hexa‐peri‐hexabenzocoronenes
Carolin Dusold, D. Sharapa, F. Hampel, A. Hirsch
2020Chemistry9 citations Open access
Semantic Scholar
Nitroxoline Molecule: Planar or Not? A Story of Battle between π-π Conjugation and Interatomic Repulsion.
D. Tikhonov, D. Sharapa, A. Otlyotov, P. Solyankin +4 more
2018Journal of Physical Chemistry A9 citations
Semantic Scholar
Exploring the hydrodeoxygenation of lignin β-O-4 dimer model compound and bio-oil by DFT and experimental studies
Yan-Jun Wen, Foteini Zormpa, D. Sharapa, F. Studt +2 more
2025Molecular Catalysis7 citations Open access
Semantic Scholar
Highly Efficient Low-loaded PdOx/AlSiOx for Ethylene Dimerization.
Tatiana Otroshchenko, D. Sharapa, Elizaveta A. Fedorova, Dan Zhao +1 more
2024Angewandte Chemie7 citations Open access
Semantic Scholar
A water-soluble, bay-functionalized perylenediimide derivative - correlating aggregation and excited state dynamics.
Konstantin Dirian, Stefan Bauroth, A. Roth, Z. Syrgiannis +7 more
2018Nanoscale6 citations Open access
Semantic Scholar
Synthesis, Structural Characterization, and Crystal Packing of the Elusive Pentachlorinated Azafullerene C59 NCl5.
K. Amsharov, Johannes Holzwarth, Kateryna V. Roshchyna, D. Sharapa +2 more
2017Chemistry6 citations
Semantic Scholar
DNA-Dye-Conjugates: Conformations and Spectra of Fluorescence Probes
Frank R. Beierlein, Miguel Paradas Palomo, D. Sharapa, O. Zozulia +2 more
2016PLoS ONE6 citations Open access
Semantic Scholar
Superhalogen and Superacid
A. V. Kulsha, D. Sharapa
2018Journal of Computational Chemistry5 citations Open access
Semantic Scholar
Charge Transport in Organic Materials: Norm-Conserving Imaginary Time Propagation with Local Ionization Energy as the External Potential.
Maximilian Kriebel, D. Sharapa, T. Clark
2017Journal of Chemical Theory and Computation5 citations
Semantic Scholar
Surface engineering for enhanced perovskite solar cells: Fullerene-mediated trap state formation on CsPbI3 (001) surface
G. George, D. Sharapa, A. Stasyuk, A. Poater +2 more
2025Solar Energy Materials and Solar Cells4 citations Open access
Semantic Scholar
Naphthalimide‐Buckybowl Tweezer for Selective Recognition of Fullerene C70
Swapnil Ghule, Konstantin Korenkov, D. Sharapa, Konstantin Y Amsharov +2 more
2025Chemistry4 citations Open access
Semantic Scholar
An Indacenopicene-based Buckybowl Catcher for Recognition of Fullerenes.
Barbara Scholz, Alexander S. Oshchepkov, O. Papaianina, Cordula Ruppenstein +4 more
2023Chemistry4 citations Open access
Semantic Scholar
Carbon Origami via an Alumina‐Assisted Cyclodehydrofluorination Strategy
A. Steiner, D. Sharapa, S. Troyanov, J. Nuss +1 more
2020Chemistry4 citations Open access
Semantic Scholar
Dispersion and polar flattening: noble gas–halogen complexes
A. Legon, D. Sharapa, T. Clark
2018Journal of Molecular Modeling4 citations
Semantic Scholar
Functionalised Cookson's Diketones in Chlorosulfonic Acid: Towards Polysubstituted D3-Trishomocubanes
Yevheniia Y. Zhyhadlo, A. Gaidai, D. Sharapa, Alena G. Mitlenko +4 more
20174 citations
Semantic Scholar
Bridging calculated charges and formal oxidation state of manganese oxides: a DFT/DFT+U study.
Julie-Ann Hoffman, Enrico Sireci, Thobani G. Gambu, D. Sharapa +2 more
2026Physical Chemistry, Chemical Physics - PCCP3 citations Open access
Semantic Scholar
Modeling the Shape and Stability of Supported Co Nanoparticles under Fischer-Tropsch Conditions via DFT Calculations and Monte Carlo simulations: Insights into CO-Driven Surface Reconstruction
Enrico Sireci, Tilman D. Grüger, P. Plessow, D. Sharapa +1 more
2025Catalysis Science & Technology3 citations Open access
Semantic Scholar
From C─H Bond Insertion to Hydrogen Atom Transfer: Tuning the Reaction Mechanisms of Methane Activation by the Oxidation of Ta2 +
Flora Siegele, J. Eckhard, Tsugunosuke Masubuchi, G. Goddard +5 more
2025Chemistry3 citations Open access
Semantic Scholar
Some New Reactions and Properties of Xanthane Hydride (5-Amino-1,2,4-dithiazole-3-thione)
V. V. Dotsenko, T. Y. Evmeshchenko, N. Aksenov, I. V. Aksenova +5 more
2018Russian journal of general chemistry3 citations Open access
Semantic Scholar
Engineering Ni(0)/Ni(II) interfaces in LDH-Derived Ni-Al catalysts for mild lignin depolymerization.
Yan-Jun Wen, Wenxuan Li, D. Sharapa, Thomas A. Zevaco +4 more
2025Bioresource Technology2 citations Open access
Semantic Scholar
The Chemistry of D3‐Trishomocubane
I. Levandovsky, D. Sharapa, O. A. Cherenkova, A. Gaidai +1 more
20112 citations
Semantic Scholar
The Electrochemical Shono Oxidation of N -Formylpyrrolidine: Mechanistic Insights from the Computational Ferrocene Electrode Model and Cyclic Voltammetry
Liana Savintseva, I. PaulNeugebauer, Sharapa, Röse +7 more
2 citations
Semantic Scholar
Understanding the Selectivity of Selective Oxidation of Propane to Acrylic Acid on a Mo–Te–Nb–O M1 Catalyst Using Density Functional Theory
Karnajit Sen, A. Schäfer, F. Rosowski, D. Sharapa +1 more
2026ACS Omega1 citations Open access
Semantic Scholar
The Mystery of Dibenzoterrylene: A Clar‐interlocked Biphenalenyl Biradical
E. Kalinina, M. Kalinin, D. Sharapa, H. Maid +6 more
2025Chemistry1 citations
Semantic Scholar
Alumina-Mediated Soft Propargylic C-H Activation in Unactivated Alkynes
Mikhail Feofanov, D. Sharapa, Vladimir A. Akhmetov
2022Green Chemistry1 citations Open access
Semantic Scholar
Issue Information
Pavlo O. Dral, D. Sharapa
2019Journal of Computational Chemistry1 citations Open access
Semantic Scholar
A Molecular Analogue of Cu/ZSM‑5 Catalyzing the Monooxygenation of Hydrocarbons via a Mono μ‑Oxo Dicopper Species
Alexander Stüber, D. Sharapa, F. Tuczek, F. Studt
2026ACS Omega0 citations Open access
Semantic Scholar
Multiscale kinetic model of ethylene oligomerization in Ni-NU-1000 metal-organic framework
Aleksandr A Avdoshin, Nikita A. Matsokin, Thanh-Nam Huynh, D. Sharapa +4 more
2026npj Computational Materials0 citations Open access
Semantic Scholar
Cover Feature: Carbon Origami via an Alumina‐Assisted Cyclodehydrofluorination Strategy (Chem. Eur. J. 20/2021)
A. Steiner, D. Sharapa, S. Troyanov, J. Nuss +1 more
2021Chemistry - A European Journal0 citations Open access
Semantic Scholar
Cover Feature: π‐Extended Diaza[7]helicenes by Hybridization of Naphthalene Diimides and Hexa‐ peri ‐hexabenzocoronenes (Chem. Eur. J. 7/2021)
Carolin Dusold, D. Sharapa, F. Hampel, A. Hirsch
2020Chemistry - A European Journal0 citations Open access
Semantic Scholar
НЕКОТОРЫЕ НОВЫЕ РЕАКЦИИ И СВОЙСТВА КСАНТАНОВОГО ВОДОРОДА (5-АМИНО-1,2,4-ДИТИАЗОЛ-3-ТИОНА)
В. В. Доценко, Т. Ю. Евмещенко, Николай Александрович Аксенов, И. В. Аксенова +5 more
2018Журнал Общей Химии0 citations
Semantic Scholar
Efficient synthesis of 4-halo-D3-trishomocubane derivatives
I. Levandovskiy, A. Gaidai, Yevheniia Y. Zhyhadlo, D. Sharapa +3 more
2018ARKIVOC0 citations Open access
Semantic Scholar
Superhalogen and Superacid. Superalkali and Superbase
A. V. Kulsha, D. Sharapa
20180 citations
Semantic Scholar

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