Please note that PUB no longer supports Internet Explorer versions 8 or 9 (or earlier).

We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.

22 Publikationen

2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2920269
Rottschäfer, D., Neumann, B., Stammler, H.-G., van Gastel, M., Andrada, D.M., Ghadwal, R.: Crystalline Radicals Derived from Classical N-Heterocyclic Carbenes. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 57, 4765-4768 (2018).
PUB | DOI | WoS | PubMed | Europe PMC
 
2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2905979
Martinez, Y.B., Pirani, L.S.R., Erben, M.F., Boese, R., Reuter, C., Vishnevskiy, Y., Mitzel, N.W., Della Vedova, C.O.: Structures of Trichloromethyl Thiocyanate, CCl3SCN, in Gaseous and Crystalline State. CHEMPHYSCHEM. 17, 1463-1467 (2016).
PUB | DOI | WoS | PubMed | Europe PMC
 
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2717586
Filimon, S.-A., Petrovic, D., Volbeda, J., Bannenberg, T., Jones, P.G., von Richthofen, C.-G., Glaser, T., Tamm, M.: 3d Metal Complexes Supported by a Bis(imidazolin-2-imino)pyridine Pincer Ligand - Synthesis, Structural Characterisation, and Magnetic Properties. Eur. J. Inorg. Chem. 5997-6012 (2014).
PUB | DOI | WoS
 
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2681802
Sanz, S., Frost, J.M., Rajeshkumar, T., Dalgarno, S.J., Rajaraman, G., Wernsdorfer, W., Schnack, J., Lusby, P.J., Brechin, E.K.: Combining Complementary Ligands into one Framework for the Construction of a Ferromagnetically Coupled [Mn-12(III)] Wheel. Chemistry - A European Journal. 20, 3010-3013 (2014).
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2612778
Zakharov, A.V., Vishnevskiy, Y., Allefeld, N., Bader, J., Kurscheid, B., Steinhauer, S., Hoge, B., Neumann, B., Stammler, H.-G., Berger, R., Mitzel, N.W.: Functionalized Bis(pentafluoroethyl)phosphanes: Improved Syntheses and Molecular Structures in the Gas Phase. European Journal Of Inorganic Chemistry. 2013, 3392-3404 (2013).
PUB | DOI | WoS
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2638474
Merca, A., Garai, S., Bögge, H., Haupt, E.T.K., Ghosh, A., Lopez, X., Poblet, J.M., Averseng, F., Che, M., Müller, A.: An Unstable Paramagnetic Isopolyoxomolybdate Intermediate Non-Homogeneously Reduced at Different Sites and Trapped in a Host Based on Chemical Adaptability. Angewandte Chemie. International Edition. 52, 11765-11769 (2013).
PUB | DOI | WoS | PubMed | Europe PMC
 
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2578787
von Richthofen, C.-G., Feldscher, B., Lippert, K.-A., Stammler, A., Bögge, H., Glaser, T.: Electronic and Molecular Structures of Heteroradialenes: A Combined Synthetic, Computational, Spectroscopic, and Structural Study Identifying IR Spectroscopy as a Simple but Powerful Experimental Probe. Zeitschrift für Naturforschung Section B-A Journal Of Chemical Sciences. 68b, 64-86 (2013).
PUB | DOI | WoS
 
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474460
Weber, L., Eickhoff, D., Marder, T.B., Fox, M.A., Low, P.J., Dwyer, A.D., Tozer, D.J., Schwedler, S., Brockhinke, A., Stammler, H.-G., Neumann, B.: Experimental and Theoretical Studies on Organic D-π-A Systems Containing Three-Coordinate Boron Moieties as both π-Donor and π-Acceptor. Chemistry - a European Journal. 18, 1369-1382 (2012).
PUB | DOI | WoS | PubMed | Europe PMC
 
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2501653
Rozhenko, A.B., Ruban, A., Thelen, V., Nieger, M., Airola, K., Schoeller, W., Niecke, E.: Island Homoaromaticity in the W-Shaped 2,4-Diphospha-3-arsapentadienide Anion and Related Compounds - Theoretical and Experimental Investigations. European Journal of Inorganic Chemistry. 2012, 2502-2507 (2012).
PUB | DOI | WoS
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2326736
Weber, L., Halama, J., Böhling, L., Chrostowska, A., Dargelos, A., Stammler, H.-G., Neumann, B.: N-Aryl- and N-Thienylcarbazoles with Dimesitylboryl and 1,3,2-Benzodiazaborolyl Functions. European Journal of Inorganic Chemistry. 2011, 3091-3101 (2011).
PUB | DOI | WoS
 
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2093757
Hayes, S.A., Berger, R., Mitzel, N.W., Bader, J., Hoge, B.: Chlorobis(pentafluoroethyl)phosphane: Improved Synthesis and Molecular Structure in the Gas Phase. Chemistry. 17, 3968-3976 (2011).
PUB | DOI | WoS | PubMed | Europe PMC
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1929712
Schoeller, W.: Dispersion-corrected energy barriers for silylene addition to white phosphorus, a density functional investigation into substituent effects. THEORETICAL CHEMISTRY ACCOUNTS. 127, 223-229 (2010).
PUB | DOI | WoS
 
2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1967976
Weber, L., Halama, J., Werner, V., Hanke, K., Böhling, L., Chrostowska, A., Dargelos, A., Maciejczyk, M., Raza, A.-L., Stammler, H.-G., Neumann, B.: Synthetic, Structural, Photophysical and Computational Studies on π-Conjugated 1,3,2-Benzodiazaboroles with Carbazole Building Blocks. European Journal of Inorganic Chemistry. 2010, 5416-5425 (2010).
PUB | DOI | WoS
 
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1587702
Schoeller, W., Frey, G.D., Bertrand, G.: Tuning the nucleophilicity in cyclopropenylidenes. CHEMISTRY-A EUROPEAN JOURNAL. 14, 4711-4718 (2008).
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1596638
Rozhenko, A.B., Schoeller, W., Letzel, M., Decker, B., Agena, C., Mattay, J.: Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations. Chemistry. A European Journal. 12, 8995-9000 (2006).
PUB | DOI | WoS | PubMed | Europe PMC
 
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1597465
Gal, J.-F., Maria, P.-C., Mo, O., Yanez, M., Kuck, D.: Complexes between lithium cation and diphenylalkanes in the gas phase: The pincer effect. CHEMISTRY-A EUROPEAN JOURNAL. 12, 7676-7683 (2006).
PUB | DOI | WoS | PubMed | Europe PMC
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1604962
Gaebert, C., Mattay, J., Toubartz, M., Steenken, S., Muller, B., Bally, T.: Radical cations of phenyl-substituted aziridines: what are the conditions for ring opening? CHEMISTRY-A EUROPEAN JOURNAL. 11, 1294-1304 (2005).
PUB | DOI | WoS | PubMed | Europe PMC
 
2003 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1610584
Schoeller, W., Rozhenko, A., Bourissou, D., Bertrand, G.: On the electronic structures of the 1,3-diboracyclobutane-1,3-diyls and their valence isomers with a B2E2 skeleton (E = N, P, AS). CHEMISTRY-A EUROPEAN JOURNAL. 9, 3611-3617 (2003).
PUB | DOI | WoS | PubMed | Europe PMC
 
2003 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1611472
Schoeller, W.: On the donor ability of the phosphaneiminato substituent and cube formation with transition metal fragments. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE. 629, 816-827 (2003).
PUB | DOI | WoS
 
2003 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1928717
Mitzel, N.W.: Molecular dialane and other binary hydrides. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 42, 3856-3858 (2003).
PUB | DOI | WoS | PubMed | Europe PMC
 
2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1615005
Grigoleit, S., Alijah, A., Rozhenko, A.B., Streubel, R., Schoeller, W.: Donor-acceptor interactions with electrophilic terminal phosphinidene complexes. JOURNAL OF ORGANOMETALLIC CHEMISTRY. 643-644, 223-230 (2002).
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617849
Schoeller, W., Rozhenko, A.B.: On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 845-850 (2001).
PUB | WoS
 

Filter und Suchbegriffe

keyword="density functional calculations"

Suche

Publikationen filtern

Darstellung / Sortierung

Zitationsstil: lncs

Export / Einbettung