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Angewandte Chemie International Edition, ISSN 1433-7851, 07/2015, Volume 54, Issue 28, pp. 8213 - 8216
The reaction of 5,10,15‐trimesitylcorrole (H 3 cor) with tungsten hexachloride and tungsten hexacarbonyl resulted in the unexpected formation of the... 
porphyrinoids | radical | corroles | nitrogen ligands | macrocycles | Porphyrinoids | Nitrogen ligands | Corroles | Macrocycles | Radical | MESO-FREE | EPR | COMPLEXES | COPPER | CHEMISTRY, MULTIDISCIPLINARY | ELECTRONIC-STRUCTURE | Hydrogen | Tungsten compounds | Pictures | Chlorination | Molecular structure | Tungsten | Insertion | Cations | Radicals | Metal ions
Journal Article
by Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T.B and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree and Goldey, Matthew and Horn, Paul R and Jacobson, Leif D and Kaliman, Ilya and Khaliullin, Rustam Z and Kuś, Tomasz and Landau, Arie and Liu, Jie and Proynov, Emil I and Rhee, Young Min and Richard, Ryan M and Rohrdanz, Mary A and Steele, Ryan P and Sundstrom, Eric J and Woodcock, H. Lee and Zimmerman, Paul M and Zuev, Dmitry and Albrecht, Ben and Alguire, Ethan and Austin, Brian and Beran, Gregory J. O and Bernard, Yves A and Berquist, Eric and Brandhorst, Kai and Bravaya, Ksenia B and Brown, Shawn T and Casanova, David and Chang, Chun-Min and Chen, Yunqing and Chien, Siu Hung and Closser, Kristina D and Crittenden, Deborah L and Diedenhofen, Michael and DiStasio, Robert A and Do, Hainam and Dutoi, Anthony D and Edgar, Richard G and Fatehi, Shervin and Fusti-Molnar, Laszlo and Ghysels, An and Golubeva-Zadorozhnaya, Anna and Gomes, Joseph and Hanson-Heine, Magnus W.D and Harbach, Philipp H.P and Hauser, Andreas W and Hohenstein, Edward G and Holden, Zachary C and Jagau, Thomas-C and Ji, Hyunjun and Kaduk, Benjamin and Khistyaev, Kirill and Kim, Jaehoon and Kim, Jihan and King, Rollin A and Klunzinger, Phil and Kosenkov, Dmytro and Kowalczyk, Tim and Krauter, Caroline M and Lao, Ka Un and Laurent, Adèle D and Lawler, Keith V and Levchenko, Sergey V and Lin, Ching Yeh and Liu, Fenglai and Livshits, Ester and Lochan, Rohini C and Luenser, Arne and Manohar, Prashant and Manzer, Samuel F and Mao, Shan-Ping and Mardirossian, Narbe and Marenich, Aleksandr V and Maurer, Simon A and Mayhall, Nicholas J and Neuscamman, Eric and Oana, C. Melania and Olivares-Amaya, Roberto and O'Neill, Darragh P and Parkhill, John A and Perrine, Trilisa M and Peverati, Roberto and Prociuk, Alexander and Rehn, Dirk R and Rosta, Edina and Russ, Nicholas J and Sharada, Shaama M and Sharma, Sandeep and Small, David W and Sodt, Alexander and ...
Molecular Physics, ISSN 0026-8976, 01/2015, Volume 113, Issue 2, pp. 184 - 215
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 2008, Volume 37, Issue 8, pp. 1558 - 1567
Knowledge about individual covalent or non-covalent bond strengths is the Holy Grail of many modern molecular sciences. Recent developments of new descriptors... 
TOPOLOGICAL ANALYSES | POTENTIAL CONSTANTS | MOLECULAR-DYNAMICS CALCULATIONS | EQUILIBRIUM GEOMETRIES | COMPLEXES | VIBRATIONS | SILICON ANALOG | OPTIMIZATION | ALKYNE | CHEMISTRY, MULTIDISCIPLINARY | ELECTRONIC-STRUCTURE
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 08/2013, Volume 19, Issue 34, pp. 11382 - 11395
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2010, Volume 132, Issue 18, pp. 184101 - 184101-7
We present an extension to the theory of compliance matrices, which is valid for arbitrary nonstationary points on the potential energy hypersurface. It is... 
MOLECULAR-DYNAMICS | POLYATOMIC-MOLECULES | ITERATIVE SUBSPACE | EQUILIBRIUM GEOMETRIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | reaction kinetics theory | FORCE-CONSTANTS | POTENTIAL-ENERGY | potential energy surfaces | BOND STRENGTHS | COMPLIANCE CONSTANTS | GEOMETRY OPTIMIZATION | Hessian matrices | DIRECT INVERSION
Journal Article
Chemistry - A European Journal, ISSN 0947-6539, 06/2018, Volume 24, Issue 36, pp. 8921 - 8921
Invited for the cover of this issue is the group of Matthias Tamm at the Technische Universitat Braunschweig. The image depicts an ambitious karateka opting to... 
Chemical bonds | Carbon | Tungsten | Metathesis
Journal Article
CHEMISTRY-A EUROPEAN JOURNAL, ISSN 0947-6539, 2010, Volume 16, Issue 29, pp. 8868 - 8877
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2015, Volume 54, Issue 28, pp. 8400 - 8400
Journal Article
Organometallics, ISSN 0276-7333, 12/2017, Volume 36, Issue 24, pp. 4687 - 4690
We report the first isolation of phosphine copper boryl complexes-species pivotal to numerous copper-catalyzed borylation reactions. The reaction of diboron(4)... 
ACTIVATION | DFT | MECHANISM | REDUCTION | FORM | CHEMISTRY, ORGANIC | ALDEHYDES | CATALYZED BORYLATION | ALKYNES | BOND | DIBORATION | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Chemistry - A European Journal, ISSN 0947-6539, 08/2010, Volume 16, Issue 29, pp. 8868 - 8877
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 10/2017, Volume 23, Issue 56, pp. 13897 - 13900
Chemically inert oxidometal(V) corrols of molybdenum and rhenium undergo clean ligand‐exchange reactions upon the action of SiCl 4 . The resulting dichlorido... 
porphyrinoids | corrole | rhenium | activation | metallocenes | molybdenum | COMPLEXES | REACTIVITY | PORPHYRIN | CHEMISTRY, MULTIDISCIPLINARY | ZIRCONIUM | CHEMISTRY | DERIVATIVES | Molybdenum | Metallocenes | Catalysis | Spectroscopy | Silicon tetrachloride | Sodium | Chlorine | Protective equipment | Organometallic compounds | Rhenium | Coordination compounds | Nucleophiles | Diamagnetism
Journal Article
Chemistry - A European Journal, ISSN 0947-6539, 06/2018, Volume 24, Issue 36, pp. 8917 - 8917
Journal Article