Simon Grabowsky

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 48

Top Venues

Chemistry (Weinheim an der Bergstrasse, Germany)

Acta crystallographica Section B, Structural science, crystal engineering and materials

Inorganic chemistry

IUCrJ

University of Bern

Freie Universität Berlin (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Bern Aug 01 2019

Switzerland

Reasearch group leader :: Department of Chemistry and Biochemistry

University of Bremen Sep 01 2014 - Jul 31 2019

Germany

Junior research group leader :: Institute for Inorganic Chemistry and Crystallography

University of Western Australia Jan 01 2014 - Aug 31 2014

Australia

Assistant Research Professor

University of Western Australia Jan 01 2011 - Dec 31 2013

Australia

Australian Postdoctoral Fellow

Education History

Freie Universität Berlin Oct 01 2006 - Dec 31 2010

Germany

PHD :: Department of Biology, Chemistry and Pharmacy

Publications

Charles James McMonagle, Chloe A Fuller, Emanuel Hupf, Lorraine A Malaspina, Simon Grabowsky, Dmitry Chernyshov
Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity. Acta crystallographica Section B, Structural science, crystal engineering and materials 80 (Pt 1) (2024)
Charles James McMonagle, Chloe A Fuller, Emanuel Hupf, Lorraine A Malaspina, Simon Grabowsky, Dmitry Chernyshov
Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity. Acta crystallographica Section B, Structural science, crystal engineering and materials 80 (Pt 1) (2024)
Charles James McMonagle, Chloe A Fuller, Emanuel Hupf, Lorraine A Malaspina, Simon Grabowsky, Dmitry Chernyshov
Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity. Acta crystallographica Section B, Structural science, crystal engineering and materials (2024)
Hikaru Yanai, Yoshihiko Terajima, Florian Kleemiss, Simon Grabowsky, Takashi Matsumoto
Reversing the Bond Length Alternation Order in Conjugated Polyenes by Substituent Effects. Chemistry (Weinheim an der Bergstrasse, Germany) 29 (15) (2023)
Emanuel Hupf, Florian Kleemiss, Tobias Borrmann, Rumpa Pal, Joanna M Krzeszczakowska, Magdalena Woinska, Dylan Jayatilaka, Alessandro Genoni, Simon Grabowsky
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials. The Journal of chemical physics 158 (12) (2023)
Felix Feige, Lorraine A Malaspina, Florian Kleemiss, Julius F Kögel, Sergey Yu Ketkov, Emanuel Hupf, Simon Grabowsky, Jens Beckmann
An investigation into the Brønsted acidity of the perfluorinated alkoxy silanes {(F 3 C) 3 CO} 3 SiH and {(F 6 C 5 ) 3 CO} 2 Si(Cl)H. Dalton transactions (Cambridge, England : 2003) (2023)
Hikaru Yanai, Yoshihiko Terajima, Florian Kleemiss, Simon Grabowsky, Takashi Matsumoto
Reversing the Bond Length Alternation Order in Conjugated Polyenes by Substituent Effects. Chemistry (Weinheim an der Bergstrasse, Germany) 29 (15) (2023)
Sylwia Pawlędzio, Maura Malińska, Florian Kleemiss, Simon Grabowsky, Krzysztof Woźniak
Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold(I) compound. IUCrJ 9 (Pt 4) (2022)
Yannik Appiarius, Philipp J Gliese, Stephan A W Segler, Pascal Rusch, Jiangbin Zhang, Paul J Gates, Rumpa Pal, Lorraine A Malaspina, Kunihisa Sugimoto, Tim Stauch, Nadja C Bigall, Simon Grabowsky, Artem A Bakulin, Anne Staubitz
BN-Substitution in Dithienylpyrenes Prevents Excimer Formation in Solution and in the Solid State. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (9) (2022)
Andryj M Borys, Lorraine A Malaspina, Simon Grabowsky, Eva Hevia
Towards Hexagonal Planar Nickel: A Dispersion-Stabilised Tri-Lithium Nickelate. Angewandte Chemie (International ed. in English) 61 (39) (2022)
Daniel Duvinage, Pim Puylaert, Erna Katharina Wieduwilt, Lorraine A Malaspina, Alison J Edwards, Enno Lork, Stefan Mebs, Emanuel Hupf, Simon Grabowsky, Jens Beckmann
Nickel and Palladium Complexes of a PP(O)P Pincer Ligand Based upon a peri -Substituted Acenaphthyl Scaffold and a Secondary Phosphine Oxide. Inorganic chemistry 61 (22) (2022)
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review. Acta crystallographica Section B, Structural science, crystal engineering and materials 78 (Pt 3 Pt 1) (2022)
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate. Acta crystallographica Section B, Structural science, crystal engineering and materials 78 (Pt 3 Pt 1) (2022)
Rosie J Somerville, Andryj M Borys, Marina Perez-Jimenez, Ainara Nova, David Balcells, Lorraine A Malaspina, Simon Grabowsky, Ernesto Carmona, Eva Hevia, Jesús Campos
Unmasking the constitution and bonding of the proposed lithium nickelate "Li 3 NiPh 3 (solv) 3 ": revealing the hidden C 6 H 4 ligand. Chemical science 13 (18) (2022)
Hikaru Yanai, Yoshihiko Terajima, Florian Kleemiss, Simon Grabowsky, Takashi Matsumoto
Reversing the Bond Length Alternation Order in Conjugated Polyenes by Substituent Effects. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Rumpa Pal, Christian Jelsch, Koichi Momma, Simon Grabowsky
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials 78 (Pt 2) (2022)
Simon Grabowsky, Mark A Spackman
Structure correlation and dynamics in crystals - a tribute to Hans-Beat Bürgi. Acta crystallographica Section B, Structural science, crystal engineering and materials 78 (Pt 3 Pt 1) (2022)
Sylwia Pawlędzio, Maura Malińska, Magdalena Woinska, Jakub Wojciechowski, Lorraine A Malaspina, Florian Kleemiss, Simon Grabowsky, Krzysztof Woźniak
Relativistic Hirshfeld atom refinement of an organo-gold(I) compound. IUCrJ 8 (Pt 4) (2021)
Florian Kleemiss, Erna Katharina Wieduwilt, Emanuel Hupf, Ming W Shi, Scott G Stewart, Dylan Jayatilaka, Michael J Turner, Kunihisa Sugimoto, Eiji Nishibori, Tanja Schirmeister, Thomas C Schmidt, Bernd Engels, Simon Grabowsky
Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug Molecules. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (10) (2021)
Malte Fugel, Anneke Dittmer, Florian Kleemiss, Simon Grabowsky
On the Role of Hydrogen Bonding in Gas-Phase SN2 Reactions at Silicon. The journal of physical chemistry. A 125 (19) (2021)
Laura Midgley, Luc J Bourhis, Oleg V Dolomanov, Simon Grabowsky, Florian Kleemiss, Horst Puschmann, Norbert Peyerimhoff
Vanishing of the atomic form factor derivatives in non-spherical structural refinement - a key approximation scrutinized in the case of Hirshfeld atom refinement. Acta crystallographica. Section A, Foundations and advances 77 (Pt 6) (2021)
Lorraine A Malaspina, Alessandro Genoni, Simon Grabowsky
lamaGOET: an interface for quantum crystallography. Journal of applied crystallography 54 (Pt 3) (2021)
Kevin Schwickert, Michał Andrzejewski, Simon Grabowsky, Tanja Schirmeister
Synthesis, X-ray Structure Determination, and Comprehensive Photochemical Characterization of (Trifluoromethyl)diazirine-Containing TRPML1 Ligands. The Journal of organic chemistry 86 (9) (2021)
Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka, Michael J Turner, Kunihisa Sugimoto, Eiji Nishibori, Simon Grabowsky
The advanced treatment of hydrogen bonding in quantum crystallography. Journal of applied crystallography 54 (Pt 3) (2021)
Florian Kleemiss, Oleg V Dolomanov, Michael Bodensteiner, Norbert Peyerimhoff, Laura Midgley, Luc J Bourhis, Alessandro Genoni, Lorraine A Malaspina, Dylan Jayatilaka, John L Spencer, Fraser White, Bernhard Grundkötter-Stock, Simon Steinhauer, Dieter Lentz, Horst Puschmann, Simon Grabowsky
Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12 (5) (2020)
Dirk Schlüter, Florian Kleemiss, Malte Fugel, Enno Lork, Kunihisa Sugimoto, Simon Grabowsky, Jeffery R Harmer, Matthias Vogt
Non-Oxido-Vanadium(IV) Metalloradical Complexes with Bidentate 1,2-Dithienylethene Ligands: Observation of Reversible Cyclization of the Ligand Scaffold in Solution. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (6) (2020)
Emil Damgaard-Møller, Lennard Krause, Helene Lassen, Lorraine A Malaspina, Simon Grabowsky, Heiko Bamberger, Jake McGuire, Haralampos N Miras, Stephen Sproules, Jacob Overgaard
Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound: A Charge Density and Correlated Ab Initio Electronic Structure Study. Inorganic chemistry 59 (18) (2020)
Florian Kleemiss, Aileen Justies, Daniel Duvinage, Patrick Watermann, Eric Ehrke, Kunihisa Sugimoto, Malte Fugel, Lorraine A Malaspina, Anneke Dittmer, Torsten Kleemiss, Pim Puylaert, Nelly R King, Anne Staubitz, Thomas M Tzschentke, Ralf Dringen, Simon Grabowsky, Jens Beckmann
Sila-Ibuprofen. Journal of medicinal chemistry 63 (21) (2020)
Malte Fugel, Maksym V Ponomarenko, Maxie F Hesse, Lorraine A Malaspina, Florian Kleemiss, Kunihisa Sugimoto, Alessandro Genoni, Gerd-Volker Röschenthaler, Simon Grabowsky
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography. Dalton transactions (Cambridge, England : 2003) 48 (43) (2019)
Hikaru Yanai, Takumi Suzuki, Florian Kleemiss, Haruhiko Fukaya, Yasuo Dobashi, Lorraine A Malaspina, Simon Grabowsky, Takashi Matsumoto
Chemical Bonding in Polarised Push-Pull Ethylenes. Angewandte Chemie (International ed. in English) 58 (26) (2019)
Martin Mayer, Valentin van Lessen, Markus Rohdenburg, Gao-Lei Hou, Zheng Yang, Rüdiger M Exner, Edoardo Apra, Vladimir A Azov, Simon Grabowsky, Sotiris S Xantheas, Knut R Asmis, Xue-Bin Wang, Carsten Jenne, Jonas Warneke
Rational design of an argon-binding superelectrophilic anion. Proceedings of the National Academy of Sciences of the United States of America 116 (17) (2019)
Lorraine A Malaspina, Erna K Wieduwilt, Justin Bergmann, Florian Kleemiss, Benjamin Meyer, Manuel F Ruiz-Lopez, Rumpa Pal, Emanuel Hupf, Jens Beckmann, Ross O Piltz, Alison J Edwards, Simon Grabowsky, Alessandro Genoni
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters 10 (22) (2019)
Emanuel Hupf, Lorraine A Malaspina, Sebastian Holsten, Florian Kleemiss, Alison J Edwards, Jason R Price, Valeri Kozich, Karsten Heyne, Stefan Mebs, Simon Grabowsky, Jens Beckmann
Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions. Inorganic chemistry 58 (24) (2019)
Jonas Köhling, Volodymyr Kozel, Vladislav Jovanov, Romana Pajkert, Sergey N Tverdomed, Oleg Gridenco, Malte Fugel, Simon Grabowsky, Gerd-Volker Röschenthaler, Veit Wagner
Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (5) (2019)
Malte Fugel, Lorraine A Malaspina, Rumpa Pal, Sajesh P Thomas, Ming W Shi, Mark A Spackman, Kunihisa Sugimoto, Simon Grabowsky
Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent? Chemistry (Weinheim an der Bergstrasse, Germany) 25 (26) (2019)
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement. Acta crystallographica. Section A, Foundations and advances 75 (Pt 5) (2019)
Malte Fugel, Jens Beckmann, Dylan Jayatilaka, Gerald V Gibbs, Simon Grabowsky
A Variety of Bond Analysis Methods, One Answer? An Investigation of the Element-Oxygen Bond of Hydroxides Hn XOH. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (23) (2018)
Malte Fugel, Maxie F Hesse, Rumpa Pal, Jens Beckmann, Dylan Jayatilaka, Michael J Turner, Amir Karton, Patrick Bultinck, Graham S Chandler, Simon Grabowsky
Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si-O Bond Character and Basicity of Siloxanes. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (57) (2018)
Malte Fugel, Dylan Jayatilaka, Emanuel Hupf, Jacob Overgaard, Venkatesha R Hathwar, Piero Macchi, Michael J Turner, Judith A K Howard, Oleg V Dolomanov, Horst Puschmann, Bo Brummerstedt Iversen, Hans Beat Bürgi, Simon Grabowsky
Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ 5 (Pt 1) (2018)
Isabel-Maria Ramirez Y Medina, Markus Rohdenburg, Farzin Mostaghimi, Simon Grabowsky, Petra Swiderek, Jens Beckmann, Jonas Hoffmann, Vincent Dorcet, Muriel Hissler, Anne Staubitz
Tuning the Optoelectronic Properties of Stannoles by the Judicious Choice of the Organic Substituents. Inorganic chemistry 57 (20) (2018)
Alessandro Genoni, Lukas Bučinský, Nicolas Claiser, Julia Contreras-García, Birger Dittrich, Paulina M Dominiak, Enrique Espinosa, Carlo Gatti, Paolo Giannozzi, Jean-Michel Gillet, Dylan Jayatilaka, Piero Macchi, Anders Ø Madsen, Lou Massa, Chérif F Matta, Kenneth M Merz, Philip N H Nakashima, Holger Ott, Ulf Ryde, Karlheinz Schwarz, Marek Sierka, Simon Grabowsky
Quantum Crystallography: Current Developments and Future Perspectives. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (43) (2018)
Rumpa Pal, M B Madhusudana Reddy, B Dinesh, Manjunath A Venkatesha, Simon Grabowsky, Christian Jelsch, T N Guru Row
Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A 122 (14) (2018)
Rumpa Pal, Stefan Mebs, Ming W Shi, Dylan Jayatilaka, Joanna M Krzeszczakowska, Lorraine A Malaspina, Michal Wiecko, Peter Luger, Malte Hesse, Yu-Sheng Chen, Jens Beckmann, Simon Grabowsky
Linear MgCp*2 vs Bent CaCp*2: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H···Ca Interactions. Inorganic chemistry 57 (9) (2018)
Magdalena Woińska, Dylan Jayatilaka, Birger Dittrich, Ralf Flaig, Peter Luger, Krzysztof Woźniak, Paulina Maria Dominiak, Simon Grabowsky
Validation of X-ray Wavefunction Refinement. Chemphyschem : a European journal of chemical physics and physical chemistry 18 (23) (2017)
Emanuel Hupf, Marian Olaru, Ciprian I Raţ, Malte Fugel, Christian B Hübschle, Enno Lork, Simon Grabowsky, Stefan Mebs, Jens Beckmann
Mapping the Trajectory of Nucleophilic Substitution at Silicon Using a peri-Substituted Acenaphthyl Scaffold. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (44) (2017)
Markus Rohdenburg, Martin Mayer, Max Grellmann, Carsten Jenne, Tobias Borrmann, Florian Kleemiss, Vladimir A Azov, Knut R Asmis, Simon Grabowsky, Jonas Warneke
Superelectrophilic Behavior of an Anion Demonstrated by the Spontaneous Binding of Noble Gases to [B12 Cl11 ]<sup/>. Angewandte Chemie (International ed. in English) 56 (27) (2017)
Simon Grabowsky, Alessandro Genoni, Hans Beat Bürgi
Quantum crystallography. Chemical science 8 (6) (2017)
Nikolay A Pushkarevsky, Pavel A Petrov, Denis S Grigoriev, Anton I Smolentsev, Lucia M Lee, Florian Kleemiss, Georgy E Salnikov, Sergey N Konchenko, Ignacio Vargas-Baca, Simon Grabowsky, Jens Beckmann, Andrey V Zibarev
Nature of Bonding in Donor-Acceptor Interactions Exemplified by Complexes of N-Heterocyclic Carbenes with 1,2,5-Telluradiazoles. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (46) (2017)

Simon Grabowsky.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Simon Grabowsky