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Journal of Chemical Theory and Computation
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February 18, 2021
Benchmarking Magnetizabilities with Recent Density Functionals
Susi Lehtola, Maria Dimitrova, Heike Fliegl, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2016
Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings
Dage Sundholm, Raphael J F Berger, Heike Fliegl
The Journal of Physical Chemistry. A
|
June 18, 2010
Aromatic pathways in twisted hexaphyrins
Heike Fliegl, Dage Sundholm, Stefan Taubert, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 19, 2019
Calculation of vibrationally resolved absorption spectra of acenes and pyrene
Isaac Benkyi, Enrico Tapavicza, Heike Fliegl, et al.
Journal of the American Chemical Society
|
August 9, 2003
Ab initio calculation of the vibrational and electronic spectra of trans- and cis-azobenzene
Heike Fliegl, Andreas Köhn, Christof Hättig, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 15, 2016
New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities
Isaac Benkyi, Heike Fliegl, Rashid R Valiev, et al.
The Journal of Organic Chemistry
|
March 5, 2014
Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines
Martin Hennum, Heike Fliegl, Lise-Lotte Gundersen, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2018
Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes
Lukas N Wirz, Maria Dimitrova, Heike Fliegl, et al.
The Journal of Physical Chemistry. A
|
July 10, 2009
Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons
Heike Fliegl, Dage Sundholm, Stefan Taubert, et al.
The Journal of Chemical Physics
|
September 1, 2006
Accurate computational determination of the binding energy of the SO3 x H2O complex
Heike Fliegl, Andreas Glöss, Oliver Welz, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 48) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
February 18, 2021
Benchmarking Magnetizabilities with Recent Density Functionals
Susi Lehtola, Maria Dimitrova, Heike Fliegl, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2016
Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings
Dage Sundholm, Raphael J F Berger, Heike Fliegl
The Journal of Physical Chemistry. A
|
June 18, 2010
Aromatic pathways in twisted hexaphyrins
Heike Fliegl, Dage Sundholm, Stefan Taubert, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 19, 2019
Calculation of vibrationally resolved absorption spectra of acenes and pyrene
Isaac Benkyi, Enrico Tapavicza, Heike Fliegl, et al.
Journal of the American Chemical Society
|
August 9, 2003
Ab initio calculation of the vibrational and electronic spectra of trans- and cis-azobenzene
Heike Fliegl, Andreas Köhn, Christof Hättig, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 15, 2016
New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities
Isaac Benkyi, Heike Fliegl, Rashid R Valiev, et al.
The Journal of Organic Chemistry
|
March 5, 2014
Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines
Martin Hennum, Heike Fliegl, Lise-Lotte Gundersen, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2018
Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes
Lukas N Wirz, Maria Dimitrova, Heike Fliegl, et al.
The Journal of Physical Chemistry. A
|
July 10, 2009
Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons
Heike Fliegl, Dage Sundholm, Stefan Taubert, et al.
The Journal of Chemical Physics
|
September 1, 2006
Accurate computational determination of the binding energy of the SO3 x H2O complex
Heike Fliegl, Andreas Glöss, Oliver Welz, et al.
Page
of 5