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Journal of Chemical Theory and Computation
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November 24, 2015
Quadrupolar NMR Spin Relaxation Calculated Using Ab Initio Molecular Dynamics: Group 1 and Group 17 Ions in Aqueous Solution
Shyam Badu, Lionel Truflandier, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 26, 2015
Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone
Barry Moore, Monika Srebro, Jochen Autschbach
Journal of Chemical Theory and Computation
|
December 5, 2015
Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach
Michael Seth, Jochen Autschbach, Tom Ziegler
The Journal of Chemical Physics
|
May 12, 2007
Development of a sum-over-states density functional theory for both electric and magnetic static response properties
Jochen Autschbach, Michael Seth, Tom Ziegler
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 24, 2006
Computational modeling of polyoxotungstates by relativistic DFT calculations of (183)W NMR chemical shifts
Alessandro Bagno, Marcella Bonchio, Jochen Autschbach
The Journal of Physical Chemistry. A
|
December 16, 2016
Calculated Resonance Vibrational Raman Optical Activity Spectra of Naproxen and Ibuprofen
Florian Krausbeck, Jochen Autschbach, Markus Reiher
Inorganic Chemistry
|
January 23, 2010
Electronic structure and circular dichroism of tris(bipyridyl) metal complexes within density functional theory
Jing Fan, Jochen Autschbach, Tom Ziegler
Journal of Computational Chemistry
|
June 1, 2022
Computational mechanistic studies on persulfate assisted p-phenylenediamine polymerization
Yusif Abdullayev, Ramil Rzayev, Jochen Autschbach
The Journal of Chemical Physics
|
October 3, 2014
Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach
Zhongwei Hu, Jochen Autschbach, Lasse Jensen
Journal of Chemical Theory and Computation
|
November 26, 2015
Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory
Jochen Autschbach, Serguei Patchkovskii, Ben Pritchard
Page
of 36
Search research articles
Search
Showing results (81-90 of 357) with videos related to
Sort By:
Page
of 36
Journal of Chemical Theory and Computation
|
November 24, 2015
Quadrupolar NMR Spin Relaxation Calculated Using Ab Initio Molecular Dynamics: Group 1 and Group 17 Ions in Aqueous Solution
Shyam Badu, Lionel Truflandier, Jochen Autschbach
Journal of Chemical Theory and Computation
|
November 26, 2015
Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone
Barry Moore, Monika Srebro, Jochen Autschbach
Journal of Chemical Theory and Computation
|
December 5, 2015
Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach
Michael Seth, Jochen Autschbach, Tom Ziegler
The Journal of Chemical Physics
|
May 12, 2007
Development of a sum-over-states density functional theory for both electric and magnetic static response properties
Jochen Autschbach, Michael Seth, Tom Ziegler
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 24, 2006
Computational modeling of polyoxotungstates by relativistic DFT calculations of (183)W NMR chemical shifts
Alessandro Bagno, Marcella Bonchio, Jochen Autschbach
The Journal of Physical Chemistry. A
|
December 16, 2016
Calculated Resonance Vibrational Raman Optical Activity Spectra of Naproxen and Ibuprofen
Florian Krausbeck, Jochen Autschbach, Markus Reiher
Inorganic Chemistry
|
January 23, 2010
Electronic structure and circular dichroism of tris(bipyridyl) metal complexes within density functional theory
Jing Fan, Jochen Autschbach, Tom Ziegler
Journal of Computational Chemistry
|
June 1, 2022
Computational mechanistic studies on persulfate assisted p-phenylenediamine polymerization
Yusif Abdullayev, Ramil Rzayev, Jochen Autschbach
The Journal of Chemical Physics
|
October 3, 2014
Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach
Zhongwei Hu, Jochen Autschbach, Lasse Jensen
Journal of Chemical Theory and Computation
|
November 26, 2015
Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory
Jochen Autschbach, Serguei Patchkovskii, Ben Pritchard
Page
of 36