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Journal of the American Chemical Society
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August 3, 2006
Zero-point corrections and temperature dependence of HD spin-spin coupling constants of heavy metal hydride and dihydrogen complexes calculated by vibrational averaging
Brendan C Mort, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 17, 2007
Temperature dependence of the optical rotation in six bicyclic organic molecules calculated by vibrational averaging
Brendan C Mort, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 5, 2008
A pragmatic recipe for the treatment of hindered rotations in the vibrational averaging of molecular properties
Brendan C Mort, 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
|
July 13, 2006
Magnitude of zero-point vibrational corrections to optical rotation in rigid organic molecules: a time-dependent density functional study
Brendan C Mort, Jochen Autschbach
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 Information and Modeling
|
May 1, 2025
Machine Learning Classification of Chirality and Optical Rotation Using a Simple One-Hot Encoded Cartesian Coordinate Molecular Representation
Yilin Zhou, Haoran Zhu, Yijie Yuan, et al.
Journal of Chemical Theory and Computation
|
June 18, 2015
Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics
David E Condon, Scott D Kennedy, Brendan C Mort, et al.
The Journal of Physical Chemistry. B
|
January 1, 2014
Optimization of an AMBER force field for the artificial nucleic acid, LNA, and benchmarking with NMR of L(CAAU)
David E Condon, Ilyas Yildirim, Scott D Kennedy, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of the American Chemical Society
|
August 3, 2006
Zero-point corrections and temperature dependence of HD spin-spin coupling constants of heavy metal hydride and dihydrogen complexes calculated by vibrational averaging
Brendan C Mort, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 17, 2007
Temperature dependence of the optical rotation in six bicyclic organic molecules calculated by vibrational averaging
Brendan C Mort, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 5, 2008
A pragmatic recipe for the treatment of hindered rotations in the vibrational averaging of molecular properties
Brendan C Mort, 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
|
July 13, 2006
Magnitude of zero-point vibrational corrections to optical rotation in rigid organic molecules: a time-dependent density functional study
Brendan C Mort, Jochen Autschbach
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 Information and Modeling
|
May 1, 2025
Machine Learning Classification of Chirality and Optical Rotation Using a Simple One-Hot Encoded Cartesian Coordinate Molecular Representation
Yilin Zhou, Haoran Zhu, Yijie Yuan, et al.
Journal of Chemical Theory and Computation
|
June 18, 2015
Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics
David E Condon, Scott D Kennedy, Brendan C Mort, et al.
The Journal of Physical Chemistry. B
|
January 1, 2014
Optimization of an AMBER force field for the artificial nucleic acid, LNA, and benchmarking with NMR of L(CAAU)
David E Condon, Ilyas Yildirim, Scott D Kennedy, et al.
Page
of 1