Lehrstuhl für Theoretische Chemie

Address:
Egerlandstraße 3
91058 Erlangen



Subordinate Organisational Units

Professur für Theoretische Chemie


Related Project(s)


(SPP 1807: Control of London dispersion interactions in molecular chemistry):
Dispersion Effects on Reactivity and Chemo-, Regio- and Stereoselectivity in Organocatalysed Domino Reactions: A Joint Experimental and Theoretical Study
Prof. Dr. Andreas Görling
(01/01/2015)


(FOR 1878: funCOS - Functional Molecular Structures on Complex Oxide Surfaces):
funCOS: Theory
Prof. Dr. Andreas Görling
(01/08/2013)


(SFB 953: Synthetic Carbon Allotropes):
SFB 953: Quantenchemische Untersuchungen zu Bildung, Struktur, Energie und elektronischen Eigenschaften von Carbinen, Fullerenen und Graphenen (C02)
Prof. Dr. Andreas Görling
(01/01/2012)



Publications (Download BibTeX)

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Soni, H., Gebhardt, J., & Görling, A. (2018). Reactivity of Substrate-Supported Graphene: A Case Study of Hydrogenation. Journal of Physical Chemistry C, 122, 2761-2772.
Yang, Z., Gebhardt, J., Schaub, T.A., Sander, T., Schönamsgruber, J., Soni, H.,... Maier, S. (2018). Two-dimensional delocalized states in organometallic bis-acetylide networks on Ag(111). Nanoscale, 10, 3769-3776.
Abellan Saez, G., Ares, P., Wild, S., Nuin Pla, N.E., Neiß, C., Miguel, D.R.-S.,... Zamora, F. (2017). Noncovalent Functionalization and Charge Transfer in Antimonene. Angewandte Chemie, 129(46), 14581-14586. https://dx.doi.org/10.1002/ange.201702983
Abellan Saez, G., Ares, P., Wild, S., Nuin Pla, N.E., Neiß, C., Rodriguez-San Miguel, D.,... Zamora, F. (2017). Noncovalent Functionalization and Charge Transfer in Antimonene. Angewandte Chemie-International Edition, 56(46), 14389-14394. https://dx.doi.org/10.1002/anie.201702983
Abellan Saez, G., Neiß, C., Lloret Segura, V.J., Wild, S., Chacón-Torres, J.C., Werbach, K.,... Hirsch, A. (2017). Exploring the Formation of Black Phosphorus Intercalation Compounds with Alkali Metals. Angewandte Chemie, 129(48), 15469-15475. https://dx.doi.org/10.1002/ange.201707462
Abellan Saez, G., Neiß, C., Lloret Segura, V.J., Wild, S., Chacón-Torres, J.C., Werbach, K.,... Hirsch, A. (2017). Exploring the Formation of Black Phosphorus Intercalation Compounds with Alkali Metals. Angewandte Chemie-International Edition, 56(48), 15267-15273. https://dx.doi.org/10.1002/anie.201707462
Bauer, T., Hager, V., Williams, M., Laurin, M., Döpper, T., Görling, A.,... Libuda, J. (2017). Palladium-Mediated Ethylation of the Imidazolium Cation Monitored In Operando on a Solid Catalyst with Ionic Liquid Layer. ChemCatChem, 9(1), 109-113. https://dx.doi.org/10.1002/cctc.201601222
Bauer, T., Voggenreiter, M., Xu, T., Wähler, T., Agel, F., Pohako-Esko, K.,... Libuda, J. (2017). ZnO Nanoparticle Formation from the Molecular Precursor [MeZnOtBu]4 by Ozone Treatment in Ionic Liquids: in-situ Vibrational Spectroscopy in an Ultrahigh Vacuum Environment. Zeitschrift fur Anorganische und Allgemeine Chemie, 643(1), 31-40. https://dx.doi.org/10.1002/zaac.201600345
Bauer, U., Mohr, S., Döpper, T., Bachmann, P., Späth, F., Düll, F.,... Papp, C. (2017). Catalytically Triggered Energy Release from Strained Organic Molecules: The Surface Chemistry of Quadricyclane and Norbornadiene on Pt(111). Chemistry-A European Journal, 23(7), 1613-1622. https://dx.doi.org/10.1002/chem.201604443
Bock, C., Gangajji, P., Bönisch, S., Bauer, W., Hutterer, C., Leidenberger, M.,... Tsogoeva, S. (2017). Deeper Insight into the Six-Step Domino Reaction of Aldehydes with Malononitrile and Evaluation of Antiviral and Antimalarial Activities of the Obtained Bicyclic Products. ChemistryOpen, 6(3), 364-374. https://dx.doi.org/10.1002/open.201700005
Gebhardt, J., Bosch, S., Hof, F., Hauke, F., Hirsch, A., & Görling, A. (2017). Selective reduction of SWCNTs-concepts and insights. Journal of Materials Chemistry C, 5(16), 3937-3947. https://dx.doi.org/10.1039/c5tc01407g
Gleichweit, C., Neiß, C., Maisel, S., Bauer, U., Späth, F., Höfert, O.,... Papp, C. (2017). Surface Reaction of CO on Carbide-Modified Mo(110). Journal of Physical Chemistry C, 121(5), 3133-3142. https://dx.doi.org/10.1021/acs.jpcc.6b11950
Grabau, M., Erhard, J., Taccardi, N., Krick Calderon, S., Wasserscheid, P., Görling, A.,... Papp, C. (2017). Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd-Ga Alloys. Chemistry-A European Journal, 23(70), 17701-17706. https://dx.doi.org/10.1002/chem.201703627
Lepper, M., Köbl, J., Schmitt, T., Gurrath, M., De Siervo, A., Schneider, M.A.,... Hieringer, W. (2017). "Inverted'' porphyrins: a distorted adsorption geometry of free-base porphyrins on Cu(111). Chemical Communications, 53(58), 8207-8210. https://dx.doi.org/10.1039/c7cc04182a
Perdew, J.P., Yang, W., Burke, K., Yang, Z., Gross, E.K.U., Scheffler, M.,... Görling, A. (2017). Understanding band gaps of solids in generalized Kohn-Sham theory. Proceedings of the National Academy of Sciences, 114(11), 2801-2806. https://dx.doi.org/10.1073/pnas.1621352114
Prenzel, D., Sander, T., Gebhardt, J., Soni, H., Hampel, F., Görling, A.,... Tykwinski, R. (2017). Triethynylmethanol Derivatives: Stable Acetylenic Building Blocks for Surface Chemistry. Chemistry-A European Journal, 23(8), 1846-1852. https://dx.doi.org/10.1002/chem.201604404
Schiener, A., Schmidt, E., Bergmann, C., Seifert, S., Zahn, D., Krach, A.,... Magerl, A. (2017). The formation of CdS quantum dots and Au nanoparticles. Zeitschrift fur Kristallographie - Crystalline Materials, 232, 39-46. https://dx.doi.org/10.1515/zkri-2016-1978
Schwarz, M., Bachmann, P., Nascimento Silva, T., Mohr, S., Scheuermeyer, M., Späth, F.,... Libuda, J. (2017). Model Catalytic Studies of Novel Liquid Organic Hydrogen Carriers: Indole, Indoline and Octahydroindole on Pt(111). Chemistry-A European Journal, 23(59), 14806-14818. https://dx.doi.org/10.1002/chem.201702333
Schwarz, M., Mohr, S., Xu, T., Döpper, T., Weiß, C., Civale, K.,... Libuda, J. (2017). Anchoring of a Carboxyl-Functionlized Norbornadiene Derivative to an Atomically-Defined Cobalt Oxide Surface. Journal of Chemical Physics, 121, 11508-11518. https://dx.doi.org/10.1021/acs.jpcc.7b02620
Späth, F., Gebhardt, J., Düll, F., Bauer, U., Bachmann, P., Gleichweit, C.,... Papp, C. (2017). Hydrogenation and hydrogen intercalation of hexagonal boron nitride on Ni(111): reactivity and electronic structure. 2D Materials, 4(3). https://dx.doi.org/10.1088/2053-1583/aa7d6b

Last updated on 2016-05-05 at 04:58