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Jochen Autschbach

Showing results (51-60 of 357) with videos related to

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Chemistryopen|February 20, 2014
Density functional study of tetraphenylporphyrin long-range exciton couplingBarry Moore, Jochen Autschbach
Journal of Chemical Theory and Computation|November 27, 2015
Modeling of the Chiroptical Response of Chiral Amino Acids in Solution Using Explicit Solvation and Molecular DynamicsMatthew D Kundrat, Jochen Autschbach
Journal of Chemical Theory and Computation|September 22, 2021
Theoretical Prediction and Interpretation of <sup>237</sup>Np Mössbauer Isomer ShiftsLaura C Motta, Jochen Autschbach
Nature Communications|July 18, 2023
Actinide inverse trans influence versus cooperative pushing from below and multi-center bondingLaura C Motta, Jochen Autschbach
The Journal of Physical Chemistry. A|July 13, 2006
Magnitude of zero-point vibrational corrections to optical rotation in rigid organic molecules: a time-dependent density functional studyBrendan C Mort, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 3, 2023
Relativistic Density Functional NMR Tensors Analyzed with Spin-free Localized Molecular OrbitalsAlberto Fernández-Alarcón, Jochen Autschbach
Journal of the American Chemical Society|October 30, 2003
A theoretical study of the NMR spin-spin coupling constants of the complexes [(NC)(5)Pt-Tl(CN)(n)](n-) (n = 0-3) and [(NC)(5)Pt-Tl-Pt(CN)(5)](3-): a lesson on environmental effectsJochen Autschbach, Boris Le Guennic
Annual Review of Physical Chemistry|May 3, 2017
Calculating Natural Optical Activity of Molecules from First PrinciplesMonika Srebro-Hooper, Jochen Autschbach
Journal of the American Chemical Society|March 12, 2008
Computational modeling of the optical rotation of amino acids: a new look at an old rule for pH dependence of optical rotationMatthew D Kundrat, Jochen Autschbach
Chemical Science|April 13, 2022
Covalency in actinide(iv) hexachlorides in relation to the chlorine K-edge X-ray absorption structureDumitru-Claudiu Sergentu, Jochen Autschbach
Pageof 36

Showing results (51-60 of 357) with videos related to

Sort By:
Pageof 36
Chemistryopen|February 20, 2014
Density functional study of tetraphenylporphyrin long-range exciton couplingBarry Moore, Jochen Autschbach
Journal of Chemical Theory and Computation|November 27, 2015
Modeling of the Chiroptical Response of Chiral Amino Acids in Solution Using Explicit Solvation and Molecular DynamicsMatthew D Kundrat, Jochen Autschbach
Journal of Chemical Theory and Computation|September 22, 2021
Theoretical Prediction and Interpretation of <sup>237</sup>Np Mössbauer Isomer ShiftsLaura C Motta, Jochen Autschbach
Nature Communications|July 18, 2023
Actinide inverse trans influence versus cooperative pushing from below and multi-center bondingLaura C Motta, Jochen Autschbach
The Journal of Physical Chemistry. A|July 13, 2006
Magnitude of zero-point vibrational corrections to optical rotation in rigid organic molecules: a time-dependent density functional studyBrendan C Mort, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 3, 2023
Relativistic Density Functional NMR Tensors Analyzed with Spin-free Localized Molecular OrbitalsAlberto Fernández-Alarcón, Jochen Autschbach
Journal of the American Chemical Society|October 30, 2003
A theoretical study of the NMR spin-spin coupling constants of the complexes [(NC)(5)Pt-Tl(CN)(n)](n-) (n = 0-3) and [(NC)(5)Pt-Tl-Pt(CN)(5)](3-): a lesson on environmental effectsJochen Autschbach, Boris Le Guennic
Annual Review of Physical Chemistry|May 3, 2017
Calculating Natural Optical Activity of Molecules from First PrinciplesMonika Srebro-Hooper, Jochen Autschbach
Journal of the American Chemical Society|March 12, 2008
Computational modeling of the optical rotation of amino acids: a new look at an old rule for pH dependence of optical rotationMatthew D Kundrat, Jochen Autschbach
Chemical Science|April 13, 2022
Covalency in actinide(iv) hexachlorides in relation to the chlorine K-edge X-ray absorption structureDumitru-Claudiu Sergentu, Jochen Autschbach
Pageof 36