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The Journal of Physical Chemistry. A
|
February 20, 2007
Supramolecular silanol chemistry in the gas phase. Topological (AIM) and population (NBO) analyses of hydrogen-bonded complexes between H3SiOH and selected O- and N-acceptor molecules
Jens Beckmann, Simon Grabowsky
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
Structure correlation and dynamics in crystals - a tribute to Hans-Beat Bürgi
Simon Grabowsky, Mark A Spackman
Acta Crystallographica. Section A, Foundations and Advances
|
September 3, 2019
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
The Journal of Physical Chemistry. A
|
July 20, 2016
Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Journal of Applied Crystallography
|
June 30, 2021
<i>lamaGOET</i>: an interface for quantum crystallography
Lorraine A Malaspina, Alessandro Genoni, Simon Grabowsky
Chemical Science
|
September 8, 2017
Quantum crystallography
Simon Grabowsky, Alessandro Genoni, Hans-Beat Bürgi
Acta Crystallographica. Section A, Foundations and Advances
|
January 5, 2021
HgH<sub>2</sub> meets relativistic quantum crystallography. How to teach relativity to a non-relativistic wavefunction
Michal Podhorský, Lukáš Bučinský, Dylan Jayatilaka, et al.
The Journal of Organic Chemistry
|
April 9, 2021
Synthesis, X-ray Structure Determination, and Comprehensive Photochemical Characterization of (Trifluoromethyl)diazirine-Containing TRPML1 Ligands
Kevin Schwickert, Michał Andrzejewski, Simon Grabowsky, et al.
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Search research articles
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Showing results (1-10 of 90) with videos related to
Sort By:
Page
of 9
The Journal of Physical Chemistry. A
|
February 20, 2007
Supramolecular silanol chemistry in the gas phase. Topological (AIM) and population (NBO) analyses of hydrogen-bonded complexes between H3SiOH and selected O- and N-acceptor molecules
Jens Beckmann, Simon Grabowsky
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
Structure correlation and dynamics in crystals - a tribute to Hans-Beat Bürgi
Simon Grabowsky, Mark A Spackman
Acta Crystallographica. Section A, Foundations and Advances
|
September 3, 2019
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
The Journal of Physical Chemistry. A
|
July 20, 2016
Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
June 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
Journal of Applied Crystallography
|
June 30, 2021
<i>lamaGOET</i>: an interface for quantum crystallography
Lorraine A Malaspina, Alessandro Genoni, Simon Grabowsky
Chemical Science
|
September 8, 2017
Quantum crystallography
Simon Grabowsky, Alessandro Genoni, Hans-Beat Bürgi
Acta Crystallographica. Section A, Foundations and Advances
|
January 5, 2021
HgH<sub>2</sub> meets relativistic quantum crystallography. How to teach relativity to a non-relativistic wavefunction
Michal Podhorský, Lukáš Bučinský, Dylan Jayatilaka, et al.
The Journal of Organic Chemistry
|
April 9, 2021
Synthesis, X-ray Structure Determination, and Comprehensive Photochemical Characterization of (Trifluoromethyl)diazirine-Containing TRPML1 Ligands
Kevin Schwickert, Michał Andrzejewski, Simon Grabowsky, et al.
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