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Ausgewählte Publikationen


[2019] [2018] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010] [2009] [2008] [2007] [2006] [2005] [2004] [2003] [2002]

2019

  • Non equilibrium anisotropic excitons in atomically thin ReS2
    J. M. Urban, M. Baranowski, A. Kuc, Ł. Kłopotowski, A. Surrente, Y. Ma, D. Włodarczyk, A. Suchocki, D. Ovchinnikov, T. Heine, D. K. Maude, A. Kis, P. Plochocka
    2D Mater. 6 (2019) 015012

2018

  • Two-dimensional Kagome Lattices Made of Hetero Triangulenes are Dirac Semimetals or Single-Band Semiconductors
    Y. Jing, T. Heine
    J. Am. Chem. Soc. (2018) accepted
  • Two-dimensional Pd3P2S8 semiconductors as photocatalysts for the solar-driven oxygen evolution reaction: a theoretical investigation
    Y. Jing, T. Heine
    J. Mater. Chem. A 6 (2018) 23495-23501
  • A Nitrogen-Rich 2D sp2 Carbon-Linked Conjugated Polymer Framework as a High-Performance Cathode for Lithium-ion Batteries
    S. Xu, G. Wang, B. P. Biswal, M. Addicoat, S. Paasch, W. Sheng, X. Zhuang, E. Brunner, T. Heine, R. Berger, X. Feng
    Angew. Chem. Intl. Ed. (2018) accepted
    Angew. Chem. (2018) accepted
  • Conformational isomerism controls collective flexibility in metal-organic framework DUT-8(Ni)
    P. Petkov, V. Bon, C. Hobday, A. Kuc, P. Melix, S. Kaskel, T. Düren, T. Heine
    Phys. Chem. Chem. Phys. (2018) accepted
  • 2D Crystals in Three Dimensions: Electronic Decoupling of Single-Layered Platelets in Colloidal Nanoparticles
    R. Kempt, A. Kuc, J. H. Han, J. Cheon, T. Heine
    Small (2018) 1803910
  • On the origin of crystallinity: a lower bound for the regularity radius of Delone sets
    I. A. Baburin, M. Bouniaev, N. Dolbilin, N. Y. Erokhovets, A. Garber, S. V. Krivovichev and E. Schulte
    Acta Crystallographica, Section A - Foundations and Advances A74 (2018) 616-629
  • Two-dimensional phosphorus carbide polymorphs: influence of structural motifs on the band gap
    E. Heller, J.-O. Joswig, T. Lorenz, G. Seifert
    Phys. Stat. Sol. B 255 (2018) 1800192/1-6
  • Surface-charge dependent orientation of water at the interface of a gold electrode: a cluster study
    G. Fazio, G. Seifert, M. Rapacioli, N. Tarrat, J.-O. Joswig
    Z. Phys. Chem. 232 (2018) 1263-1266
  • Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials
    I. Hönicke, I. Senkovska, V. Bon, I. A. Baburin, N. Boenisch, S. Raschke, J. D. Evans, S. Kaskel
    Angew. Chem. Intl. Ed. 130 (2018) 1
  • Generating carbon schwarzites via zeolite-templating
    E. Braun, Y. Lee, S. M. Moosavi, S. Barthel, R. Mercado, I. A. Baburin, D. M. Proserpio, B. Smit
    Proc Natl Acad Sci USA 115 (2018) 1
  • Momentum-space indirect interlayer excitons in transition-metal dichalcogenide van der Waals heterostructures
    J. Kunstmann, F. Mooshammer, P. Nagler, A. Chaves, F. Stein, N. Paradiso, G. Plechinger, C. Strunk, C. Schüller, G. Seifert, D. R. Reichman, T. Korn
    Nature Physics (2018)
  • Chemical Modelling 14
    M. Springborg, J.-O. Joswig
    R. Soc. Chem. (2018)
  • On the electronic and transport properties of semiconducting carbon nanotubes: the role of sp3-defects
    D. Teich, M. Claus, G. Seifert
    J. Comp. Electron. (2018)

2017

  • Effective Zeeman splitting in bent lateral heterojunctions of graphene and hexagonal boron nitride: A new mechanism towards half-metallicity
    L. Yue, G. Seifert, K. Chang, D.-B. Zhang
    Phys. Rev. B 96 (2017) 201403
  • Toward Activity Origin of Electrocatalytic Hydrogen Evolution Reaction on Carbon-Rich Crystalline Coordination Polymers
    L. Wang, D. C. Tranca, J. Zhang, Y. Qi, S. Sfaelou, T. Zhang, R. Dong, X. Zhuang, Z. Zheng, G. Seifert
    Small 1700783 (2017)
  • Chemical and Electronic Repair Mechanism of Defects in MoS2 Monolayers
    A. Förster, S. Gemming, G. Seifert, D. Tomanek
    ACS Nano (2017)
  • Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method
    D. Selli, G. Fazio, G. Seifert, C. Di Valentin
    J. Chem. Theory Comput. 13 (2017) 8
  • Structure and Stability of GaS Fullerenes and Nanotubes
    A.N. Enyashin, O. Brontvein, G. Seifert, R. Tenne
    Israel Journal of Chemistry 57 (6) (2017) 529-539
  • Porous graphite oxide pillared with tetrapod-shaped molecules
    J. Sun, F. Morales-Lara, A. Klechikov, A. V. Talyzin, I. A. Baburin, G. Seifert, F. Cardano, M. Baldrighi, M. Frasconi, S. Giordani
    Carbon 120 (2017) 145
  • Multilayered intercalation of 1-octanol into Brodie graphite oxide
    A. Klechikov, J. Sun, I. A. Baburin, G. Seifert, A. T. Rebrikova, N. V. Avramenko, M. V. Korobov, A. V. Talyzin
    Nanoscale 9 (2017) 6929-6936
  • Molybdenum Carbide-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Electrocatalysts for Water Splitting in Alkaline Media
    C. Lu, D. Tranca, J. Zhang, F. R. Hernandez, Y. Su, X. Zhuang, F. Zhang, G. Seifert, X. Feng
    ACS Nano 11 (2017) 3933&
  • The origin of the measured chemical shift of 129Xe in UiO-66 and UiO-67 revealed by DFT investigations
    K. Trepte, J. Schaber, S. Schwalbe, F. Drache, I. Senkovska, S. Kaskel, J. Kortus, E. Brunner, G. Seifert
    Phys. Chem. Chem. Phys. 19 (2017) 10020-10027
  • Mechanical, elastic and thermodynamic properties of crystalline lithium silicides
    S. Schwalbe, T. Gruber, K. Trepte, F. Taubert, F. Mertens, J. Kortus
    Comp. Mat. Science 134 (2017) 48-57
  • NiII formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties
    K. Rühlig, A. Abylaikhan, A. Aliabadi, V. Kataev, S. Liebing, S. Schwalbe, K. Trepte, C. Ludt, J. Kortus, B. Büchner, T. Rüffer, H. Lang
    Dalton Transactions 46 (2017) 3963-3979
  • Localized defect states in MoS2 monolayers: Electronic and optical properties
    J. Kunstmann, T. B. Wendumu, G. Seifert
    Phys. Stat. Sol. B 254 (2017) 1600645
  • Immobilizing Molecular Metal Dithiolene-Diamine Complexes on 2D Metal-Organic Frameworks for Electrocatalytic H2 Production
    R. Dong, Z. Zheng, D. Tranca, J. Zhang, N. Chandrasekhar, S. Liu, X. Zhuang, G. Seifert, X. Feng
    Chem. Eur. J. 23 (2017) 2255-2260
  • Influence of Electric Fields on the Electron Transport in Donor Acceptor Polymers
    A. Förster, F. Günther, S. Gemming, G. Seifert
    J. Phys. Chem. C 121 (2017) 3714
  • Charge Transfer Variability in Misfit Layer Compounds: Comparison of SnS-SnS2 and LaS-TaS2
    T. Lorenz, I. A. Baburin, J.-O. Joswig, G. Seifert
    Israel J. Chem. 57 (2017)
  • Self-Assembled Magnetite Mesocrystalline Films: Toward Structural Evolution from 2D to 3D Superlattices
    J. Brunner, I. A. Baburin, S. Sturm, K. Kvashnina, A. Rossberg, T. Pietsch, S. Andreev, E. Sturm and H. Cölfen
    Adv. Mater. Interfaces 4 (2017) 1600431
  • Tuning quantum electron and phonon transport in two-dimensional materials by strain engineering: a Greens function based study
    L. Medrano Sandonas, R. Gutierrez, A. Pecchia, G. Seifert, G. Cuniberti
    Phys. Chem. Chem. Phys. 19 (2017) 1487-1495

2016

  • Wafer-sized multifunctional polyimine-based two-dimensional conjugated polymers with high mechanical stiffness
    H. Sahabudeen, H. Qi, B.A. Glatz, D. Tranca, R. Dong, Y. Hou, T. Zhang, C. Kuttner, T. Lehnert, G. Seifert, U. Kaiser, A. Fery, Z. Zheng, X. Feng
    Nature Communications 7 (2016) 13461
  • Water Splitting on Transition Metal Active Sites at TiO2-Based Electrodes: A Small Cluster Study
    F. Rodriguez-Hernandez, D. C. Tranca, A. Martinez-Mesa, Ll. Uranga-Pina, G. Seifert
    J. Phys. Chem. C 120 (45) (2016) 25851-25860
  • Chemical Modelling
    M. Springborg, J.-O. Joswig (Eds.)
    The Royal Society of Chemistry 13 (2016)
  • Conformational and electronic properties of small benzothiadiazole-cored oligomers with aryl flanking units: Thiophene versus Furan
    D. Raychev, O. Guskova, G. Seifert, J.-U. Sommer
    Com. Mat. Science 126 (2016) 287-298
  • Anisotropic Thermoelectric Response in Two-Dimensional Puckered Structures
    L. Medrano Sandonas, D. Teich, R. Gutierrez, T. Lorenz, A. Pecchia, G. Seifert, G. Cuniberti
    J. Phys. Chem. C 120 (2016) 18841-49
  • High Conductivity in Molecularly p-Doped Diketopyrrolopyrrole-Based Polymer: The Impact of a High Dopant Strength and Good Structural Order
    Y. Karpov, T. Erdmann, I. Raguzin, M. Al-Hussein, M. Binner, U. Lappan, M. Stamm, K.L. Gerasimov, T. Beryozkina, V. Bakulev, D.V. Anokhin, D.A. Ivanov, F. Günther, S. Gemming, G. Seifert, B. Voit, R.
    Adv. Materials 28 (2016) 6003-10
  • pH and concentration dependence of the optical properties of thiol-capped CdTe nanocrystals in water and D2O
    R. Schneider, F. Weigert, V. Lesnyak, S. Leubner, T. Lorenz, T. Behnke, A. Dubavik, J.-O. Joswig, U. Resch-Genger, N. Gaponik, A. Eychmüller
    Phys.Chem.Chem.Phys. 18 (2016) 19083-19092
  • Water Splitting on TiO2-Based Electrochemical Cells: A Small Cluster Study
    F. Rodriguez-Hernandez, D. C. Tranca, B. M. Szyja, Rutger A. van Santen, A. Martinez-Mesa, Ll. Uranga-Pina, G. Seifert
    J. Phys. Chem C 120 (2016) 437-449
  • Electron-beam induced synthesis of nanostructures: a review
    I. G. Gonzalez-Martinez, A. Bachmatiuk, V. Bezugly, J. Kunstmann, T. Gemming, Z. Liu, G. Cuniberti, M. H. Rümmeli
    Nanoscale 8 (2016) 11340
  • Special Issue: Dedicated to Professor Michael Springborg on the occasion of his 60th birthday
    J.-O. Joswig (Guest Ed.)
    Z. Phys. Chem. 230 (2016)
  • Detecting and Quantifying Geometric Features in Large Series of Cluster Structures
    J.-O. Joswig, T. Lorenz
    Z. Phys. Chem. 230 (2016) 10571066
  • A First-Principles Study of Metal-Decorated Graphene Nanoribbons for Hydrogen Storage
    D.C. Tranca, G. Seifert
    Z. Phys. Chem. 230 (2016) 791-808
  • Hopping-Based Charge Transfer in Diketopyrrolopyrrole-Based Donor&Acceptor Polymers: A Theoretical Study
    F. Günther, S. Gemming, G. Seifert
    J. Phys. Chem. C 120 (2016) 9581-9587
  • Towards an optimal contact metal for CNTFETs
    A. Fediai, D. A. Ryndyk, G. Seifert, S. Mothes, M. Claus, M. Schröter, G. Cuniberti
    Nanoscale (2016)
  • On the group-theoretical approach to the study of interpenetrating nets
    I. A. Baburin
    Acta Crystallographica, Section A - Foundations and Advances 72 (2016) 366-375
  • A zeolitic imidazolate framework with conformational variety: conformational polymorphs versus frameworks with static conformational disorder
    S. Springer, I. A. Baburin, T. Heinemeyer, J. G. Schiffmann, L. van Wüllen, S. Leoni and M. Wiebcke
    CrystEngComm 18 (2016) 2477-2489
  • In-situ quasi-instantaneous electron beam driven catalyst-free formation of crystalline Al5BO9 nanowires
    I. G. Gonzalez-Martinez, T. Gemming, R. Mendes, A. Bachmatiuk, V. Bezugly, J. Kunstmann, J. Eckert, G. Cuniberti, M. H. Rümmeli
    Scientific Reports 6 (2016) 22524
  • Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi=V,...,Cu)
    S. Schwalbe, K. Trepte, G. Seifert, J. Kortus
    Phys. Chem. Chem. Phys. 18 (2016) 8075-8080
  • Structure, nonstoichiometry, and geometrical frustration of alpha-tetragonal boron
    N. Uemura, K. Shirai, H. Eckert, J. Kunstmann
    Phys. Rev. B 93 (2016) 104101
  • Direct Measurement of the Tunable Electronic Structure of Bilayer MoS2 by Interlayer Twist
    P.-C. Yeh, W. Jin, N. Zaki, J. Kunstmann, D. Chenet, G. Arefe, J. T. Sadowski, J. I. Dadap, P. Sutter, J. Hone, R. M. Osgood Jr.
    Nano Letters 16 (2016) 953-959
  • Tubular structures from the LnS-TaS2 (Ln = La, Ce, Nd, Ho, Er) and LaSe-TaSe2 misfit layered compounds
    G. Radovsky, R. Popovitz-Biro, T. Lorenz, J.-O. Joswig, G. Seifert, L. Houben, R. E. Dunin-Borkowskid, R. Tenne
    J. Mater. Chem. C 4 (2016) 89-98

2015

  • Characteristics of flexibility in MOF solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2-xdabco]n: In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations
    V. Bon, J. Pallmann, E. Eisbein, H.C. Hoffmann, I. Senkovska, I. Schwedler, A. Schneemann, S. Henke, D. Wallacher, R.A. Fischer, G. Seifert, E. Brunner, S. Kaskel
    Microporous and Mesoporous Materials 216 (2015) 64-74
  • Porous Graphene Oxide/Diboronic Acid Materials: Structure and Hydrogen Sorption
    G. Mercier, A. Klechikov, M. Hedenström, D. Johnels, I. A. Baburin, G. Seifert, R. Mysyk and A.V. Talyzin
    J. Phys. Chem. C 119 (2015) 27179
  • MoS2 decoration by Mo-atoms and the MoS2-Mo-graphene heterostructure: a theoretical study
    D.G. Kvashnin, P.B. Sorokin, G. Seifert, L.A. Chernozatonskii
    Phys. Chem. Chem. Phys. 17 (2015) 28770-28773
  • Microwave-Assisted Synthesis of Defects Metal-Imidazolate-Amide-Imidate Frameworks and Improved CO2 Capture
    K. Behrens, S. S. Mondal, R. Nöske, I. A. Baburin, S. Leoni, C. Günter, J. Weber, H.-J. Holdt
    Inorg. Chem. 54 (2015) 10073-10080
  • Tin(II) Sulfide (SnS) Nanosheets by Liquid-Phase Exfoliation of Herzenbergite: IV-VI Main Group Two-Dimensional Atomic Crystals
    J.R. Brent, D.J. Lewis, T. Lorenz, E.A. Lewis, N. Savjani, S.J. Haigh, G. Seifert, B. Derby, P. OBrien
    J. Am. Chem. Soc. 137(39) (2015) 12689-12696
  • Diameter-Selective Dispersion of Carbon Nanotubes via Polymers: A Competition between Adsorption and Bundling
    H. Yang, V. Bezugly, J. Kunstmann, A. Filoramo, G. Cuniberti
    ACS Nano 9 (2015) 9012-9019
  • Zukunftsziel atomare Elektronik - Möglichkeiten durch die Miniaturisierung der elektronischen Welt
    M. Ruck, G. Seifert
    labor&more 7 (2015) 38-43
  • Hydrogen storage in high surface area graphene scaffolds
    A. Klechikov, G. Mercier, T. Sharifi, I. A. Baburin, G. Seifert, A. V. Talyzin
    ChemComm 51 (2015) 15280-15283
  • Graphene-based technologies for energy applications, challenges and perspectives
    E. Quesnel, G. Seifert et al.
    2D Mater. 2 (2015) 030204
  • On the Theory of Charge Transfer Energies at Donor-Acceptor Interfaces in Solar Cells
    R. Warmbier, G. Seifert, R. Scholz, A. Quandt
    Third Southern African Solar Energy Conference (SASEC2015) (2015)
  • Theoretical investigation of an in situ k-restore process for damaged ultra-low-k materials based on plasma enhanced fragmentation
    A. Förster, C. Wagner, S. Gemming, J. Schuster
    J. Vac. Sci. Technol. B 33 (2015) 052203
  • Effect of Surface Properties on the Microstructure, Thermal, and Colloidal Stability of VB2 Nanoparticles
    B. Terlan, A. A. Levin, F. Börrnert, F. Simon, M. Oschatz, M. Schmidt, R. Cardoso-Gil, T. Lorenz, I. A. Baburin, J.-O. Joswig, A. Eychmüller
    Chemistry of Materials 27 (2015) 51065115
  • Electronic and magnetic properties of DUT-8(Ni)
    K. Trepte, S. Schwalbe, G. Seifert
    PCCP 17 (2015) 17122-17129
  • Revealing the hidden correlated electronic structure of strained graphene
    L. Craco, D. Selli, G. Seifert, S. Leoni
    Phys. Rev. B 91 (2015) 205120
  • Enhanced proton-transfer activity in imidazole@MIL-53(Al) systems revealed by molecular-dynamics simulations
    E. Eisbein, J.-O. Joswig, G. Seifert
    Microporous and Mesoporous Materials (2015)
  • Influence of surface charge on the transport characteristics of nanowire-field effect transistors in liquid environments
    D. Nozaki, J. Kunstmann, F. Zörgiebel, G. Cuniberti
    Applied Physics Letters 106 (2015) 203104
  • Hydrogen adsorption by perforated graphene
    I. A. Baburin, A. Klechikov, G. Mercier, A. Talyzin, G. Seifert
    Int. J. Hydrogen Energy 40 (2015) 6594
  • Molecular simulation on carbon dioxide fixation routes towards synthesis of precursors for innovative urethanes
    V.C. Beber, L.T. Caleiro, K.R. de Aguiar, J.-O. Joswig, U.P. Rodrigues Filho, P.-L.M. Noeske, K. Rischka, W.L. Cavalcanti
    Applied Adhesion Science 2015 (2015)
  • From zeolite nets to sp3 carbon allotropes: a topology-based multiscale theoretical study
    I. A. Baburin, D. M. Proserpio, V. A. Saleev and A. V. Shipilova
    Phys. Chem. Chem. Phys. 17 (2015) 1332

2014

2013

  • Defect-induced conductivity anisotropy in MoS2 monolayers
    M. Ghorbani-Asl, A.N. Enyashin, A. Kuc, G. Seifert, T. Heine
    Phys. Rev. B 88 (2013) 245440
  • Intramolecular Polarization Induces ElectronHole Charge Separation in Light-Harvesting Molecular Triads
    L. Rego, B. Hames, K. Mazon, J.-O. Joswig
    J. Phys. Chem. C 118 (2013) 126-134
  • The Virtues of Magnetism
    J.-O. Joswig, T. Lorenz, G. Seifert
    ACS Nano 7 (2013) 10449-10451
  • Orientation dependence of energy absorption and relaxation dynamics of C60 in fs-laser pulses
    M. Fischer, J. Handt, G. Seifert, R. Schmidt
    Phys. Rev. A 88 (2013) 061403
  • Limits of mechanical energy storage and structural changes in twisted carbon nanotube ropes
    Z. Fthenakis, Z. Zhu, D. Teich, G. Seifert, D.Tomanek
    Phys. Rev. B 88 (2013) 245402
  • Chemical Modelling - Applications and Theory
    M. Springborg, J.-O. Joswig (Editors)
    Royal Society of Chemistry 10 (2013)
  • Quantifying charge transfer energies at donor-acceptor interfaces in small-molecule solar cells with constrained DFTB and spectroscopic methods
    R. Scholz, R. Luschtinetz, G. Seifert, T. Jägeler-Hoheisel, C. Körner, K. Leo, M. Rapacioli
    Journal of Physics: Condensed Matters 25 (2013) 473201
  • Theoretical studies on the structural and electronic properties of π-stacked cyano-thiophene-based molecules
    R. Luschtinetz, G. Seifert
    Comp. Theor. Chem. 1023 (2013) 65-73
  • Theoretical investigation of the electronic structure and quantum transport in the grapheneC(111) diamond surface system
    D. Selli, I. Baburin, S. Leoni, Z. Zhu, D. Tománek, G. Seifert
    J. Phys.: Condens. Matter 25 (2013) 435302
  • Experimental and theoretical investigations of the ligand structure of water-soluble CdTe nanocrystals
    S. Leubner, S. Hatami, N. Esendemir, T. Lorenz, J.-O. Joswig, V. Lesnyak, S. Recknagel, N. Gaponik, U. Resch-Genger, A. Eychmüller
    Dalton Transactions 42 (2013) 12733-12740
  • Gate effects in a hexagonal zinc-imidazolate-4-amide-5-imidate framework with flexible methoxy substituents and CO2 selectivity
    S. S. Mondal, A. Bhunia, I. A. Baburin, C. Jäger, A. Kelling, U. Schilde, G. Seifert, C. Janiak and H.-J. Holdt
    ChemComm 49 (2013) 7599-7601
  • Zr- and Hf-based Metal-Organic Frameworks: Tracking down the polymorphism
    V. Bon, I. Senkovska, I. A. Baburin, S. Kaskel
    Crystal Growth and Design 13 (2013) 1231
  • A rare alb-4,8-Cmce metal-coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane
    I. Boldog, K. V. Domasevitch, I. A. Baburin, H. Ott, B. Gil-Hernandez, J. Sanchiz, C. Janiak
    CrystEngComm 15 (2013) 1235
  • Line Defects in Molybdenum Disulfide Layers
    A.N. Enyashin, M. Bar-Sadan, L. Houben, G. Seifert
    J. Phys. Chem. C 117 (2013) 10842
  • Optimizing Electronic Structure and Quantum Transport at the Graphene-Si(111) Interface: An Ab Initio Density-Functional Study
    C. Tayran, Z. Zhu, M. Baldoni, D. Selli, G. Seifert, D. Tomanek
    Phys. Rev. Lett. 110(17) (2013) 176805
  • Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory
    C.A. Schröder, I.A. Baburin, L. van Wüllen, M. Wiebcke, S. Leoni
    CrystEngComm 15 (20) (2013) 4036-4040
  • Novel metastable metallic and semiconducting germaniums
    D. Selli, I.A. Baburin, R. Martonak, S. Leoni
    Scientific Reports 3 (2013)
  • Observation of a Burstein-Moss Shift in Rhenium-Doped MoS2 Nanoparticles
    Q.-C. Sun, L. Yadgarov, R. Rosentsveig, G. Seifert, R. Tenne, J. L. Musfeldt.
    ACS nano 7(4) (2013) 3506-3511
  • A two-electron mechanism of lithium insertion into layered alpha-MoO3: a DFT and DFT+U study
    M. Baldoni, L. Craco, G. Seifert, S. Leoni
    J. Mater. Chem. A 1(5) (2013) 1778-1784
  • Theoretical study on the CH center dot center dot center dot NC hydrogen bond interaction in thiophene-based molecules
    R. Luschtinetz, S. Gemming, G. Seifert
    Comp. Theor. Chem. 1005 (2013) 45-52

2012

2011

2010

2009

2008

2007

2006

2005

2004

2003

  • Molekulare Bewegung
    G. Fischer, S. Gemming, T. Heine, G. Seifert, K. Vietze
    Wiss. Z. Techn. Univers. Dresden 52 (2003) 11
  • Do All-Metal Antiaromatic Clusters Exist?
    Z. Chen, C. Corminboeuf, T. Heine, J. Bohman, P. v. R. Schleyer
    J. Am. Chem. Soc. 125 (2003) 13930-13931
  • Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts
    T. Heine, P. v. R. Schleyer, C. Corminboeuf, G. Seifert, R. Reviakine, J. Weber
    J. Phys. Chem. A 107 (2003) 6470
  • Influence of Dynamics on the Structure and NMR Chemical Shift of a Zeolite Precursor
    S. Krishnamurty, T. Heine, A. Goursot
    J. Phys. Chem. B 107 (2003) 5728
  • The Change of Aromaticity along a Diels-Alder Reaction Path
    C. Corminboeuf, T. Heine, J. Weber
    Org. Lett. 5 (2003) 1127
  • Nuclear magnetic resonance chemical shifts and paramagnetic field modifications in La2CuO4
    S. Renold, T. Heine, J. Weber, P. F. Meier
    Phys. Rev. B 67 (2003) 024501
  • Sigma Antiaromaticity in Cyclobutane, Cubane, andOther Molecules with Saturated Four-Memebered Rings
    D. Moran, M. Manoharan, T. Heine, P. v. R. Schleyer
    Org. Lett. 5 (2003) 23
  • Evaluation of aromaticity: A new dissected NICS model based on canonical orbitals
    C. Corminboeuf, T. Heine, J. Weber
    Phys. Chem. Chem. Phys 5 (2003) 246
  • Optical properties of Cadmium Sulfide clusters
    J.-O. Joswig, G. Seifert, Th. Niehaus, M. Springborg
    J. Phys. Chem. B 107 (2003) 2897
  • The Properties of Boron-Carbide Nanotubes
    O. Ponomarenko, M.W. Radny, P.V. Smith, G. Seifert
    Phys.. Rev. B 67 (2003) 125401

2002

  • Ab intio many calculations of static dipole polarizabilities of linear carbon chains and chainlike boron clusters
    A. Abdurahman, A. Shukla, G. Seifert
    Phys. Rev. B 66 (2002) 155423
  • SiO2 Coated Carbon Nanotubes: theory and experiment
    T. Seeger, Th. Köhler, Th. Frauenheim, N. Grobert, M. Terrones, G. Seifert, M. Rühle
    Z. Metallkd. 93 (2002) 455
  • Calculation of Excitation of Organic Chromophores: A Critical Evaluation
    J. Fabian, L.A. Diaz, G. Seifert, T. Niehaus
    J. of Mol. Struc. - THEOCHEM 594 (2002) 40
  • Scannung Tunneling Microscopy Study of WS2 Nanotubes
    L. Scheffler, R. Rosentzveig, A. MArgolin, R. Popovitz-Biro, G. Seifert, S.R. Cohen, R. Tenne
    Phys. Chem. Chem. Phys. 4 (2002) 2095
  • Atomistic simulations of complex materials: ground-state and excited-state properties
    Th. Frauenheim, G. Seifert, M. Elstner, T.A. Niehaus, C. Köhler, M. Amkreutz, M. Sternberg, Z. Hajnal, A. di Carlo, S. Suhai
    J. Phys. C 14 (2002) 3015
  • On the Stability of Metal Chalcogenide Nanotubes
    G. Seifert, Th. Köhler, R. Tenne
    J. Phys. Chem. B B 106 (2002) 2497
  • Theoretical tools for transport in molecular nanostructures
    A. di Carlo, M. Gheorghe, P. Lugli, M. Sternberg, G. Seifert, Th. Frauenhein
    Phys. B 314 (2002) 86
  • Scanning the Potential Energy of Iron Clusters: a Novel Search Strategy
    P. Bobadova-Parvanova, S. Srinivas, M. Horoi, C. Köhler, G. Seifert
    J. Chem. Phys. 116 (2002) 3576
  • Nanotube Composites: Novel SiO2 Coated Carbon Nanotubes
    T. Seeger, Th. Köhler, Th. Frauenheim, N. Grobert, M. Rühle, M. Terrones, G. Seifert
    Chem. Comm. 34 (2002)


KONTAKT


Sekretariat

Antje Völkel
Tel.: +49 (0) 351 463 34467
Fax: +49 (0) 351 463 35953
E-Mail: Antje.Voelkel (at) tu-dresden.de


Sitz
Bergstraße 66c
König-Bau
Raum 107

Post
TU Dresden
Fakultät Chemie und Lebensmittelchemie
Professur für Theoretische Chemie
01062 Dresden


Pakete
TU Dresden
Fakultät Chemie und Lebensmittelchemie
Professur für Theoretische Chemie
Bergstraße 66c
01062 Dresden