Zobrazeno 1 - 10
of 88
pro vyhledávání: '"Andreas Krapp"'
Autor:
Gernot Frenking, Pattiyil Parameswaran, Nozomi Takagi, Krishna K. Pandey, Takayazu Shimizu, Andreas Krapp, Ralf Tonner, Susanne Klein
Publikováno v:
Chem. Soc. Rev.. 43:5106-5139
Recent theoretical studies are reviewed which show that the naked group 14 atoms E = C-Pb in the singlet (1)D state behave as bidentate Lewis acids that strongly bind two σ donor ligands L in the donor-acceptor complexes L→E←L. Tetrylones EL2 ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3870a66502589cacc0bbd29f0749a3f0
https://doi.org/10.1039/c4cs00073k
https://doi.org/10.1039/c4cs00073k
Autor:
Trygve Helgaker, Kasper Hald, Sonja Coriani, Andrea Ligabue, Christof Hättig, Stefan Knecht, Jógvan Magnus Haugaard Olsen, Keld L. Bak, Paweł Sałek, Heike Fliegl, Marcin Ziółkowski, Andreas J. Thorvaldsen, Alf C. Hennum, Kurt V. Mikkelsen, Stephan P. A. Sauer, Brannislav Jansik, Alfredo Sánchez de Merás, Johanna Kauczor, Luca Frediani, Sheela Kirpekar, Jacob Kongsted, Asger Halkier, Arnfinn Hykkerud Steindal, Jeppe Olsen, Zilvinas Rinkevicius, Maria Francesca Iozzi, Vladimir V. Rybkin, Thomas Bondo Pedersen, Vebjørn Bakken, David P. Tew, Stine Høst, Juan Ignacio Melo, Ola B. Lutnæs, Patrick Ettenhuber, Hans Ågren, Celestino Angeli, Eirik Hjertenæs, Patrick Norman, Wim Klopper, Filip Pawłowski, Christian Neiss, Ove Christiansen, Kenneth Ruud, Thomas Enevoldsen, Linus Boman, Christian B. Nielsen, David J. D. Wilson, Kristian O. Sylvester-Hvid, Mark A. Watson, Kestutis Aidas, Pål Dahle, Martin J. Packer, Erik I. Tellgren, Torgeir A. Ruden, Hinne Hettema, Henrik Koch, Lara Ferrighi, Trond Saue, Radovan Bast, Thomas Kjærgaard, Erik K. Dalskov, Andrew M. Teale, Kristian Sneskov, Lea Thøgersen, Renzo Cimiraglia, Olav Vahtras, Claire C. M. Samson, Dan Jonsson, Andreas Krapp, Rika Kobayashi, Hans-Jørgen Aa. Jensen, Bernd Schimmelpfennig, Janus J. Eriksen, Rolf H. Myhre, Ida-Marie Høyvik, Kasper Kristensen, Peter R. Taylor, Ulf Ekström, Patricio Federico Provasi, Poul Jørgensen, Simen Reine, Hanne Heiberg, Anders Osted, Berta Fernández
Publikováno v:
Wiley Interdisciplinary Reviews: Computational Molecular Science. 4:269-284
Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, MOller-Plesset, confi ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed0292d7905a323a530145bc1195ce73
https://doi.org/10.1002/wcms.1172
https://doi.org/10.1002/wcms.1172
Publikováno v:
Tetrahedron. 68:1869-1885
Arenes and heteroarenes carrying a halogen and an amino- or hydroxy group have been converted to allylamino- or allyloxy-furyl-(hetero)arenes. These compounds underwent IMDAF reactions to give complex fused polycyclic heterocycles. The reactivity of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3af27f24a38adf53adfb36ed314aeff
https://doi.org/10.1016/j.tet.2011.12.079
https://doi.org/10.1016/j.tet.2011.12.079
Publikováno v:
Organometallics. 30:6562-6571
A computational study at the DFT level using BP86 and dispersion-corrected D-BP86 methods has been performed on the mechanism of a highly cis-diastereoselective cyclopropanation reaction between ethyl diazoacetate and styrene, catalyzed by a Rh(I) co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c189664119bcc1151bc7ead8f93742c
https://doi.org/10.1021/om200594q
https://doi.org/10.1021/om200594q
Publikováno v:
International Journal of Mass Spectrometry. 304:165-171
Mass spectrometric experiments have been performed to compare the gas-phase stability and reactivity of the protonated and alkaliated forms of the trideoxycytoside dianion (CCC–2H)2−, viz. (CCC–H)− and [M(CCC–2H)]−, respectively, M = Li,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d650b03ced927b8ff52eb7d21bc1dff
https://doi.org/10.1016/j.ijms.2010.08.001
https://doi.org/10.1016/j.ijms.2010.08.001
Publikováno v:
Zeitschrift für anorganische und allgemeine Chemie. 637:1728-1735
Density functional theory calculations using the BP86 functional in combination with triple-ζ quality basis sets have been carried out for the “early-late” transition metal complexes Cl3M–M′(PCl3)4 (M = Ti, Zr, Hf; M′ = Co, Rh, Ir) and the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b11fed0df9c41b29bf81a39f9cd1e3d2
https://doi.org/10.1002/zaac.201100198
https://doi.org/10.1002/zaac.201100198
Publikováno v:
Inorganic Chemistry. 50:819-826
The bonding situation of homonuclear and heteronuclear metal-metal multiple bonds in R(3)M-M'R(3) (M, M' = Cr, Mo, W; R = Cl, NMe(2)) is investigated by density functional theory (DFT) calculations, with the help of energy decomposition analysis (EDA
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fdbfa96c1b50ceaac8588fc2c184d81c
https://doi.org/10.1021/ic101227u
https://doi.org/10.1021/ic101227u
Autor:
Manfred Prenzel, Andreas Krapp
Publikováno v:
International Journal of Science Education. 33:27-50
This article presents an overview of interest research and describes the theoretical and methodological background for the assessment of interest in science in large‐scale assessments like the ‘Programme for International Student Assessment’ (P
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d2f7769c257d4ec432fa9281163ebe3
https://doi.org/10.1080/09500693.2010.518645
https://doi.org/10.1080/09500693.2010.518645
Publikováno v:
Canadian Journal of Chemistry. 88:1079-1093
Homo- and hetero-dimetallic (d–d)8 analogues of the formally quadruply bonded [Re2Cl8]2– system with the general formula [MM′Cl8]x (M, M′ = Tc, Re, Ru, Os, Rh, Ir and x = –2, –1, 0, +1, +2) have been calculated with the density functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e9eb675c7436a42a2e732be09732d7b4
https://doi.org/10.1139/v10-078
https://doi.org/10.1139/v10-078
Autor:
Gunnar Herstad, Frode Rise, Steven Ray Wilson, Karl Egil Malterud, Stefan Krauss, Martin Frank Strand, Andreas Krapp
Publikováno v:
Journal of Pharmaceutical and Biomedical Analysis. 53:497-502
A toxic plant, Veratrum album (ssp. viriscens), was found to have an inhibitory effect on Hedgehog (Hh), a developmental signaling pathway that has been shown to be active during development, in adult stem cells and in numerous human tumors. Based on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f53db37bae2a4d60f06b2f96238be2dc
https://doi.org/10.1016/j.jpba.2010.05.024
https://doi.org/10.1016/j.jpba.2010.05.024