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The Journal of Physical Chemistry. A
|
May 4, 2016
How to Compute Electron Ionization Mass Spectra from First Principles
Christoph Alexander Bauer, Stefan Grimme
The Journal of Physical Chemistry. A
|
November 14, 2014
Elucidation of electron ionization induced fragmentations of adenine by semiempirical and density functional molecular dynamics
Christoph Alexander Bauer, Stefan Grimme
Organic & Biomolecular Chemistry
|
September 27, 2014
First principles calculation of electron ionization mass spectra for selected organic drug molecules
Christoph Alexander Bauer, Stefan Grimme
Journal of Computational Chemistry
|
September 2, 2017
Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites
Philipp Pracht, Christoph Alexander Bauer, Stefan Grimme
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 2, 2016
The Fractional Occupation Number Weighted Density as a Versatile Analysis Tool for Molecules with a Complicated Electronic Structure
Christoph Alexander Bauer, Andreas Hansen, Stefan Grimme
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
May 4, 2016
How to Compute Electron Ionization Mass Spectra from First Principles
Christoph Alexander Bauer, Stefan Grimme
The Journal of Physical Chemistry. A
|
November 14, 2014
Elucidation of electron ionization induced fragmentations of adenine by semiempirical and density functional molecular dynamics
Christoph Alexander Bauer, Stefan Grimme
Organic & Biomolecular Chemistry
|
September 27, 2014
First principles calculation of electron ionization mass spectra for selected organic drug molecules
Christoph Alexander Bauer, Stefan Grimme
Journal of Computational Chemistry
|
September 2, 2017
Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites
Philipp Pracht, Christoph Alexander Bauer, Stefan Grimme
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 2, 2016
The Fractional Occupation Number Weighted Density as a Versatile Analysis Tool for Molecules with a Complicated Electronic Structure
Christoph Alexander Bauer, Andreas Hansen, Stefan Grimme
Page
of 1