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Christian Neiss - Publications

Affiliations: 
2004-2006 Nanotechnology Karlsruhe Institute of Technology 
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18 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Kivala M, Ascherl J, Neiss C, Vogel A, Graf J, Rominger F, Oeser T, Hampel F, Görling A. Phosphorus-Containing Dibenzonaphthanthrenes: Electronic Fine Tuning of Polycyclic Aromatic Hydrocarbons through Organophosphorus Chemistry. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32558004 DOI: 10.1002/Chem.202002872  0.329
2019 Wild S, Fickert M, Mitrovic A, Lloret V, Neiss C, Vidal-Moya JA, Rivero-Crespo MÁ, Leyva-Pérez A, Werbach K, Peterlik H, Grabau M, Wittkämper H, Papp C, Steinrück HP, Pichler T, et al. Lattice Opening Upon Bulk Reductive Covalent Functionalization of Black Phosphorus. Angewandte Chemie (International Ed. in English). PMID 30675972 DOI: 10.1002/Anie.201811181  0.312
2019 Wild S, Fickert M, Mitrovic A, Lloret V, Neiss C, Vidal‐Moya JA, Rivero‐Crespo MÁ, Leyva‐Pérez A, Werbach K, Peterlik H, Grabau M, Wittkämper H, Papp C, Steinrück H, Pichler T, et al. Gitteröffnung durch reduktive kovalente Volumen‐Funktionalisierung von schwarzem Phosphor Angewandte Chemie. 131: 5820-5826. DOI: 10.1002/Ange.201811181  0.312
2017 Abellán G, Ares P, Wild S, Nuin E, Neiss C, Rodriguez-San Miguel D, Segovia P, Gibaja C, Michel EG, Görling A, Hauke F, Gómez-Herrero J, Hirsch A, Zamora F. Noncovalent functionalization and charge transfer in antimonene. Angewandte Chemie (International Ed. in English). PMID 28945952 DOI: 10.1002/Anie.201702983  0.311
2017 Thierbach A, Neiss C, Gallandi L, Marom N, Körzdörfer T, Goerling A. Accurate valence ionization energies from Kohn-Sham eigenvalues with the help of potential adjustors. Journal of Chemical Theory and Computation. PMID 28783360 DOI: 10.1021/Acs.Jctc.7B00490  0.363
2014 Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, ... ... Neiss C, et al. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 4: 269-284. PMID 25309629 DOI: 10.1002/Wcms.1172  0.598
2014 Januszewski JA, Hampel F, Neiss C, Görling A, Tykwinski RR. Unexpected formation of a [4]radialene and dendralenes by addition of tetracyanoethylene to a tetraaryl[5]cumulene. Angewandte Chemie (International Ed. in English). 53: 3743-7. PMID 24574089 DOI: 10.1002/Anie.201309355  0.301
2014 Milek T, Döpper T, Neiss C, Görling A, Zahn D. Charge distribution analysis in Ag(n)(m⁺) clusters: molecular modeling and DFT calculations. Journal of Molecular Modeling. 20: 2111. PMID 24562854 DOI: 10.1007/S00894-014-2111-1  0.317
2012 Kelting R, Baldes A, Schwarz U, Rapps T, Schooss D, Weis P, Neiss C, Weigend F, Kappes MM. Structures of small bismuth cluster cations. The Journal of Chemical Physics. 136: 154309. PMID 22519328 DOI: 10.1063/1.3703014  0.368
2012 Duchstein P, Neiss C, Görling A, Zahn D. Molecular mechanics modeling of azobenzene-based photoswitches. Journal of Molecular Modeling. 18: 2479-82. PMID 22033758 DOI: 10.1007/S00894-011-1270-6  0.317
2012 Neiss C, Schooss D. Accelerated cluster structure search using electron diffraction data in a genetic algorithm Chemical Physics Letters. 532: 119-123. DOI: 10.1016/J.Cplett.2012.02.062  0.306
2009 Lechtken A, Neiss C, Kappes MM, Schooss D. Structure determination of gold clusters by trapped ion electron diffraction: Au(14)(-)-Au(19)(-). Physical Chemistry Chemical Physics : Pccp. 11: 4344-50. PMID 19458837 DOI: 10.1039/B821036E  0.324
2008 Lechtken A, Neiss C, Stairs J, Schooss D. Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state. The Journal of Chemical Physics. 129: 154304. PMID 19045190 DOI: 10.1063/1.2992073  0.304
2008 Tew DP, Klopper W, Neiss C, Hättig C. Comment on Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets by D. P. Tew, W. Klopper, C. Neiss and C. Hättig, Phys. Chem. Chem. Phys., 2007, 9, 1921 [erratum] Physical Chemistry Chemical Physics. 10: 6325-6327. DOI: 10.1039/B811567B  0.535
2007 Neiss C, Hättig C. Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) model. The Journal of Chemical Physics. 126: 154101. PMID 17461608 DOI: 10.1063/1.2716662  0.568
2007 Tew DP, Klopper W, Neiss C, Hättig C. Quintuple-zeta quality coupled-cluster correlation energies with triple-zeta basis sets. Physical Chemistry Chemical Physics : Pccp. 9: 1921-30. PMID 17431520 DOI: 10.1039/B617230J  0.561
2007 Sevillano P, Fuhr O, Hampe O, Lebedkin S, Neiss C, Ahlrichs R, Fenske D, Kappes MM. Synthesis, characterization and quantum mechanical calculations of [Au 18Se8(dppthph)6]Cl2 European Journal of Inorganic Chemistry. 5163-5167. DOI: 10.1002/Ejic.200700870  0.348
2006 Neiss C, Hättig C, Klopper W. Extensions of r12 corrections to CC2-R12 for excited states. The Journal of Chemical Physics. 125: 64111. PMID 16942277 DOI: 10.1063/1.2335443  0.541
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