Search research articles
Contact Us
Filters
Showing results (61-70 of 357) with videos related to
Page
of 36
Sort By:
Chirality
|
November 2, 2010
Toward a generalization of the Clough-Lutz-Jirgensons effect: Chiral organic acids with alkyl, hydroxyl, and halogen substituents
Lucia Nitsch-Velasquez, Jochen Autschbach
The Journal of Physical Chemistry. A
|
March 17, 2006
Time dependent density functional theory modeling of chiroptical properties of small amino acids in solution
Matthew D Kundrat, Jochen Autschbach
The Journal of Physical Chemistry. A
|
October 6, 2006
Temperature dependence of the optical rotation of fenchone calculated by vibrational averaging
Brendan C Mort, Jochen Autschbach
The Journal of Physical Chemistry. A
|
November 28, 2006
Time dependent density functional theory modeling of specific rotation and optical rotatory dispersion of the aromatic amino acids in solution
Matthew D Kundrat, Jochen Autschbach
Journal of Chemical Theory and Computation
|
May 26, 2016
Impact of the Kohn-Sham Delocalization Error on the 4f Shell Localization and Population in Lanthanide Complexes
Thomas J Duignan, Jochen Autschbach
Inorganic Chemistry
|
August 12, 2022
Theoretical Evaluation of Metal-Ligand Bonding in Neptunium Compounds in Relation to <sup>237</sup>Np Mössbauer Spectroscopy
Laura C Motta, Jochen Autschbach
The Journal of Chemical Physics
|
August 7, 2010
Analyzing molecular static linear response properties with perturbed localized orbitals
Jochen Autschbach, Harry F King
The Journal of Physical Chemistry. A
|
June 2, 2007
Vibrational corrections to magneto-optical rotation: a computational study
Brendan C Mort, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 20, 2015
Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory
Barry Moore Ii, Jochen Autschbach
Journal of Chemical Theory and Computation
|
May 20, 2022
<sup>237</sup>Np Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic Electron Correlation in Heavy Element Complexes
Laura C Motta, Jochen Autschbach
Page
of 36
Search research articles
Search
Showing results (61-70 of 357) with videos related to
Sort By:
Page
of 36
Chirality
|
November 2, 2010
Toward a generalization of the Clough-Lutz-Jirgensons effect: Chiral organic acids with alkyl, hydroxyl, and halogen substituents
Lucia Nitsch-Velasquez, Jochen Autschbach
The Journal of Physical Chemistry. A
|
March 17, 2006
Time dependent density functional theory modeling of chiroptical properties of small amino acids in solution
Matthew D Kundrat, Jochen Autschbach
The Journal of Physical Chemistry. A
|
October 6, 2006
Temperature dependence of the optical rotation of fenchone calculated by vibrational averaging
Brendan C Mort, Jochen Autschbach
The Journal of Physical Chemistry. A
|
November 28, 2006
Time dependent density functional theory modeling of specific rotation and optical rotatory dispersion of the aromatic amino acids in solution
Matthew D Kundrat, Jochen Autschbach
Journal of Chemical Theory and Computation
|
May 26, 2016
Impact of the Kohn-Sham Delocalization Error on the 4f Shell Localization and Population in Lanthanide Complexes
Thomas J Duignan, Jochen Autschbach
Inorganic Chemistry
|
August 12, 2022
Theoretical Evaluation of Metal-Ligand Bonding in Neptunium Compounds in Relation to <sup>237</sup>Np Mössbauer Spectroscopy
Laura C Motta, Jochen Autschbach
The Journal of Chemical Physics
|
August 7, 2010
Analyzing molecular static linear response properties with perturbed localized orbitals
Jochen Autschbach, Harry F King
The Journal of Physical Chemistry. A
|
June 2, 2007
Vibrational corrections to magneto-optical rotation: a computational study
Brendan C Mort, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 20, 2015
Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory
Barry Moore Ii, Jochen Autschbach
Journal of Chemical Theory and Computation
|
May 20, 2022
<sup>237</sup>Np Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic Electron Correlation in Heavy Element Complexes
Laura C Motta, Jochen Autschbach
Page
of 36