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  • since 08/2019: Research Group Leader at the Department of Chemistry and Biochemistry at the University of Bern
  • 04/2019: Habilitation in physical chemistry at the University of Bremen, award of the title "Private Docent"
  • 10/2015: Award of the title "Professor" by the University of Bremen
  • 09/2014 – 07/2019: Emmy Noether Research Group Leader at the University of Bremen
  • 01/2014 – 08/2014: Assistant Research Professor at the University of Western Australia
  • 01/2011 – 01/2014: Australian Postdoctoral Fellow at the University of Western Australia
  • 10/2006 – 12/2010: Doctoral studies and dissertation at the Free University of Berlin under the supervision of Prof. Dr. P. Luger: "New Methods in the Analysis of Electron Density and Electron Localizability - Applications to X-O-X Systems (X = C, Si)"
  • 10/2001 – 09/2006: Studies of chemistry (diploma) at the Free University of Berlin

Our main field of research is method development in quantum crystallography and application of the new methods to bonding analysis in inorganic and bio-organic chemistry.

For a full list of publications, please see:

Researcher ID: H-6014-2012

ORCID: 0000-0002-3377-9474

 

 

Publications recorded in BORIS (Bern Open Repository and Information System): 

Number of items: 66.

Journal Article

Schlüter, Dirk; Kleemiss, Florian; Fugel, Malte; Lork, Enno; Sugimoto, Kunihisa; Grabowsky, Simon; Harmer, Jeffrey R.; Vogt, Matthias (2020). Non‐Oxido‐Vanadium(IV) Metalloradical Complexes with Bidentate 1,2‐Dithienylethene Ligands – Observation of Reversible Cyclization of the Ligand Scaffold in Solution. Chemistry - a European journal, 26(6), pp. 1335-1343. Wiley-VCH 10.1002/chem.201904103

Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F.; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro (2019). Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters, 10(22), pp. 6973-6982. American Chemical Society 10.1021/acs.jpclett.9b02646

Fugel, Malte; Ponomarenko, Maksym V.; Hesse, Maxie F.; Malaspina, Lorraine A.; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon (2019). Complementary bonding analysis of the N–Si interaction in pentacoordinated silicon compounds using quantum crystallography. Dalton transactions, 48(43), pp. 16330-16339. Royal Society of Chemistry 10.1039/C9DT02772F

Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon (2019). Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement. Acta Crystallographica Section A Foundations and Advances, 75(5), pp. 705-717. International Union of Crystallography 10.1107/S2053273319008027

Yanai, Hikaru; Suzuki, Takumi; Kleemiss, Florian; Fukaya, Haruhiko; Dobashi, Yasuo; Malaspina, Lorraine A.; Grabowsky, Simon; Matsumoto, Takashi (2019). Chemical Bonding in Polarised Push-Pull Ethylenes. Angewandte Chemie (International ed.), 58(26), pp. 8839-8844. Wiley-VCH 10.1002/anie.201904176

Mayer, Martin; van Lessen, Valentin; Rohdenburg, Markus; Hou, Gao-Lei; Yang, Zheng; Exner, Rüdiger M.; Aprà, Edoardo; Azov, Vladimir A.; Grabowsky, Simon; Xantheas, Sotiris S.; Asmis, Knut R.; Wang, Xue-Bin; Jenne, Carsten; Warneke, Jonas (2019). Rational design of an argon-binding superelectrophilic anion. Proceedings of the National Academy of Sciences of the United States of America - PNAS, 116(17), pp. 8167-8172. National Academy of Sciences NAS 10.1073/pnas.1820812116

Fugel, Malte; Malaspina, Lorraine A.; Pal, Rumpa; Thomas, Sajesh P.; Shi, Ming W.; Spackman, Mark A.; Sugimoto, Kunihisa; Grabowsky, Simon (2019). Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent? Chemistry - a European journal, 25(26), pp. 6523-6532. Wiley-VCH 10.1002/chem.201806247

Köhling, Jonas; Kozel, Volodymyr; Jovanov, Vladislav; Pajkert, Romana; Tverdomed, Sergey N.; Gridenco, Oleg; Fugel, Malte; Grabowsky, Simon; Röschenthaler, Gerd-Volker; Wagner, Veit (2019). Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications. ChemPhysChem, 20(5), pp. 665-671. Wiley-VCH 10.1002/cphc.201801087

Hupf, Emanuel; Malaspina, Lorraine A.; Holsten, Sebastian; Kleemiss, Florian; Edwards, Alison J.; Price, Jason R.; Kozich, Valeri; Heyne, Karsten; Mebs, Stefan; Grabowsky, Simon; Beckmann, Jens (2019). Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions. Inorganic chemistry, 58(24), pp. 16372-16378. American Chemical Society 10.1021/acs.inorgchem.9b01845

Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R.; Macchi, Piero; Turner, Michael J.; Howard, Judith A. K.; Dolomanov, Oleg V.; Puschmann, Horst; Iversen, Bo B.; Bürgi, Hans-Beat; Grabowsky, Simon (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), pp. 32-44. International Union of Crystallography 10.1107/S2052252517015548

Genoni, Alessandro; Bučinský, Lukas; Claiser, Nicolas; Contreras-García, Julia; Dittrich, Birger; Dominiak, Paulina M.; Espinosa, Enrique; Gatti, Carlo; Giannozzi, Paolo; Gillet, Jean-Michel; Jayatilaka, Dylan; Macchi, Piero; Madsen, Anders Ø.; Massa, Lou; Matta, Chérif F.; Merz, Kenneth M.; Nakashima, Philip N. H.; Ott, Holger; Ryde, Ulf; Schwarz, Karlheinz; ... (2018). Quantum Crystallography: Current Developments and Future Perspectives. Chemistry - a European journal, 24(43), pp. 10881-10905. Wiley-VCH 10.1002/chem.201705952

Ramirez y Medina, Isabel-Maria; Rohdenburg, Markus; Mostaghimi, Farzin; Grabowsky, Simon; Swiderek, Petra; Beckmann, Jens; Hoffmann, Jonas; Dorcet, Vincent; Hissler, Muriel; Staubitz, Anne (2018). Tuning the Optoelectronic Properties of Stannoles by the Judicious Choice of the Organic Substituents. Inorganic chemistry, 57(20), pp. 12562-12575. American Chemical Society 10.1021/acs.inorgchem.8b01649

Grabowsky, Simon; Mallow, Ole; Pal, Rumpa; Pergandé, Yves; Lork, Enno; Näther, Christian; Beckmann, Jens (2018). Conformational trimorphism of bis(2,6-dimesitylphenyl)ditelluride. Zeitschrift für Kristallographie - Crystalline Materials, 233(9-10), pp. 707-721. De Gruyter 10.1515/zkri-2018-2077

Fugel, Malte; Hesse, Maxie F.; Pal, Rumpa; Beckmann, Jens; Jayatilaka, Dylan; Turner, Michael J.; Karton, Amir; Bultinck, Patrick; Chandler, Graham S.; Grabowsky, Simon (2018). Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si−O Bond Character and Basicity of Siloxanes. Chemistry - a European journal, 24(57), pp. 15275-15286. Wiley-VCH 10.1002/chem.201802197

Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. (2018). Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. Journal of physical chemistry. A, 122(14), pp. 3665-3679. American Chemical Society 10.1021/acs.jpca.7b10939

Pal, Rumpa; Mebs, Stefan; Shi, Ming W.; Jayatilaka, Dylan; Krzeszczakowska, Joanna M.; Malaspina, Lorraine A.; Wiecko, Michal; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Beckmann, Jens; Grabowsky, Simon (2018). Linear MgCp*2 vs Bent CaCp*2 : London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C–H···Ca Interactions. Inorganic chemistry, 57(9), pp. 4906-4920. American Chemical Society 10.1021/acs.inorgchem.7b03079

Fugel, Malte; Beckmann, Jens; Jayatilaka, Dylan; Gibbs, Gerald V.; Grabowsky, Simon (2018). A Variety of Bond Analysis Methods, One Answer? An Investigation of the Element−Oxygen Bond of Hydroxides HnXOH. Chemistry - a European journal, 24(23), pp. 6248-6261. Wiley-VCH 10.1002/chem.201800453

Fugel, Malte; Kleemiss, Florian; Malaspina, Lorraine A.; Pal, Rumpa; Spackman, Peter R.; Jayatilaka, Dylan; Grabowsky, Simon (2018). Investigating the Resonance in Nitric Acid and the Nitrate Anion Based on a Modern Bonding Analysis. Australian journal of chemistry, 71(4), pp. 227-237. CSIRO Publishing 10.1071/CH17583

Woińska, Magdalena; Jayatilaka, Dylan; Dittrich, Birger; Flaig, Ralf; Luger, Peter; Woźniak, Krzysztof; Dominiak, Paulina M.; Grabowsky, Simon (2017). Validation of X-ray Wavefunction Refinement. ChemPhysChem, 18(23), pp. 3334-3351. Wiley-VCH 10.1002/cphc.201700810

Pushkarevsky, Nikolay A.; Petrov, Pavel A.; Grigoriev, Denis S.; Smolentsev, Anton I.; Lee, Lucia M.; Kleemiss, Florian; Salnikov, Georgy E.; Konchenko, Sergey N.; Vargas-Baca, Ignacio; Grabowsky, Simon; Beckmann, Jens; Zibarev, Andrey V. (2017). Nature of Bonding in Donor-Acceptor Interactions Exemplified by Complexes of N-Heterocyclic Carbenes with 1,2,5-Telluradiazoles. Chemistry - a European journal, 23(46), pp. 10987-10991. Wiley-VCH 10.1002/chem.201703018

Malaspina, Lorraine A.; White, Allan H.; Wege, Dieter; Tolmie, Michael B.; Skelton, Brian W.; Grabowsky, Simon (2017). Tautomerism in acyl-pyrazolones and in a novel photolysis product—importance and impact of the accurate localization of hydrogen atoms in crystal structures. Structural chemistry, 28(5), pp. 1343-1357. Springer 10.1007/s11224-017-1005-0

Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon (2017). Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations. Crystal growth & design, 17(7), pp. 3812-3825. American Chemical Society 10.1021/acs.cgd.7b00390

Hupf, Emanuel; Olaru, Marian; Raţ, Ciprian I.; Fugel, Malte; Hübschle, Christian B.; Lork, Enno; Grabowsky, Simon; Mebs, Stefan; Beckmann, Jens (2017). Mapping the Trajectory of Nucleophilic Substitution at Silicon Using a peri-Substituted Acenaphthyl Scaffold. Chemistry - a European journal, 23(44), pp. 10568-10579. Wiley-VCH 10.1002/chem.201700992

Rohdenburg, Markus; Mayer, Martin; Grellmann, Max; Jenne, Carsten; Borrmann, Tobias; Kleemiss, Florian; Azov, Vladimir A.; Asmis, Knut R.; Grabowsky, Simon; Warneke, Jonas (2017). Superelectrophilic Behavior of an Anion Demonstrated by the Spontaneous Binding of Noble Gases to [B 12 Cl 11] −. Angewandte Chemie (International ed.), 56(27), pp. 7980-7985. Wiley-VCH 10.1002/anie.201702237

Grabowsky, Simon; Genoni, Alessandro; Bürgi, Hans-Beat (2017). Quantum crystallography. Chemical Science, 8(6), pp. 4159-4176. The Royal Society of Chemistry 10.1039/c6sc05504d

Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ (2017). A potential Cu/V-organophosphonate platform for tailored void spaces via terpyridine mold casting. Acta crystallographica Section B, 73(2), pp. 296-303. International Union of Crystallography 10.1107/S2052520617000245

Shi, Ming W.; Stewart, Scott G.; Sobolev, Alexandre N.; Dittrich, Birger; Schirmeister, Tanja; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Spackman, Peter R.; Spackman, Mark A.; Grabowsky, Simon (2017). Approaching an experimental electron density model of the biologically active trans-epoxysuccinyl amide group-Substituent effects vs. crystal packing. Journal of physical organic chemistry, 30(11), e3683. Wiley 10.1002/poc.3683

Chulanova, Elena A.; Pritchina, Elena A.; Malaspina, Lorraine A.; Grabowsky, Simon; Mostaghimi, Farzin; Beckmann, Jens; Bagryanskaya, Irina Yu.; Shakhova, Margarita V.; Konstantinova, Lidia S.; Rakitin, Oleg A.; Gritsan, Nina P.; Zibarev, Andrey V. (2017). New Charge-Transfer Complexes with 1,2,5-Thiadiazoles as Both Electron Acceptors and Donors Featuring an Unprecedented Addition Reaction. Chemistry - a European journal, 23(4), pp. 852-864. Wiley-VCH 10.1002/chem.201604121

Grabowsky, Simon (2016). Das Wechselspiel von Theorie und Kristallographie. Nachrichten aus der Chemie, 64(12), pp. 1155-1158. Wiley-VCH 10.1002/nadc.20164052794

Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon (2016). Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth. Journal of physical chemistry. A, 120(33), pp. 6650-6669. American Chemical Society 10.1021/acs.jpca.6b05769

Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A. (2016). SF5 -Enolates in Ti(IV)-Mediated Aldol Reactions. Journal of organic chemistry, 81(15), pp. 6783-6791. American Chemical Society 10.1021/acs.joc.6b00946

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan (2016). Hydrogen atoms can be located accurately and precisely by x-ray crystallography. Science Advances, 2(5), e1600192. American Association for the Advancement of Science 10.1126/sciadv.1600192

Ayers, P. W.; Boyd, R. J.; Bultinck, P; Caffarel, M; Carbo-Dorca, R; Causa, M; Cioslowski, J; Contreras-Garcia, J; Cooper, D. L.; Coppens, P; Gatti, C; Grabowsky, Simon; Lazzeretti, P; Macchi, Piero; Martin Pendas, A; Popelier, P. L. A.; Ruedenberg, K; Rzepa, H; Savin, A; Sax, A; ... (2015). Six Questions on Topology in Theoretical Chemistry. Computational and theoretical chemistry, 1053, pp. 2-16. Elsevier 10.1016/j.comptc.2014.09.028

Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens (2015). Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry. Crystal growth & design, 15(10), pp. 4925-4931. American Chemical Society 10.1021/acs.cgd.5b00811

Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon (2015). Vinyl sulfone building blocks in covalently reversible reactions with thiols. New journal of chemistry, 39(7), pp. 5841-5853. Royal Society of Chemistry 10.1039/C5NJ00368G

Shi, Ming W.; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Schmidt, Thomas C.; Luger, Peter; Mebs, Stefan; Dittrich, Birger; Chen, Yu-Sheng; Bąk, Joanna M.; Jayatilaka, Dylan; Bond, Charles S.; Turner, Michael J.; Stewart, Scott G.; Spackman, Mark A.; Grabowsky, Simon (2015). Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c). New journal of chemistry, 39(3), pp. 1628-1633. Royal Society of Chemistry 10.1039/C4NJ01503G

Turner, Michael J.; Grabowsky, Simon; Jayatilaka, Dylan; Spackman, Mark A. (2014). Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals. The journal of physical chemistry letters, 5(24), pp. 4249-4255. American Chemical Society 10.1021/jz502271c

Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon (2014). Hirshfeld atom refinement for modelling strong hydrogen bonds. Acta Crystallographica Section A Foundations and Advances, 70(5), pp. 483-498. International Union of Crystallography 10.1107/S2053273314012443

Capelli, Silvia C.; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan (2014). Hirshfeld atom refinement. IUCrJ, 1(5), pp. 361-379. International Union of Crystallography 10.1107/S2052252514014845

Mallow, Ole; Bolsinger, Jens; Finke, Pamela; Hesse, Malte; Chen, Yu-Sheng; Duthie, Andrew; Grabowsky, Simon; Luger, Peter; Mebs, Stefan; Beckmann, Jens (2014). Oxygen Transfer from an Intramolecularly Coordinated Diaryltellurium Oxide to Acetonitrile. Formation and Combined AIM and ELI-D Analysis of a Novel Diaryltellurium Acetimidate. Journal of the American Chemical Society, 136(31), pp. 10870-10873. American Chemical Society 10.1021/ja505648x

Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger (2014). On the temperature dependence of H-U iso in the riding hydrogen model. Acta Crystallographica Section A Foundations and Advances, 70(4), pp. 309-316. International Union of Crystallography 10.1107/S2053273314010626

Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H. (2014). Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts. CrystEngComm, 16(21), pp. 4508-4538. Royal Society of Chemistry 10.1039/C4CE00095A

Beckmann, Jens; Do, Truong Giang; Grabowsky, Simon; Hupf, Emanuel; Lork, Enno; Mebs, Stefan (2013). Peri-Interactions in 8-Diphenylphosphino-1-bromonaphthalene, 6-Diphenylphosphino-5-bromoacenaphthene, and Derivatives. Zeitschrift für anorganische und allgemeine Chemie, 639(12-13), pp. 2233-2249. Wiley-VCH 10.1002/zaac.201300272

Grabowsky, Simon; Jayatilaka, Dylan; Fink, Reinhold F.; Schirmeister, Tanja; Engels, Bernd (2013). Can Experimental Electron-Density Studies be Used as a Tool to Predict Biologically Relevant Properties of Low-Molecular Weight Enzyme Ligands? Zeitschrift für anorganische und allgemeine Chemie, 639(11), pp. 1905-1921. Wiley-VCH 10.1002/zaac.201200518

Bąk, Joanna M.; Effendy, H.; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H. (2013). True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts. CrystEngComm, 15(6), pp. 1125-1138. Royal Society of Chemistry 10.1039/C2CE26824H

Mebs, Stefan; Chilleck, Maren A.; Grabowsky, Simon; Braun, Thomas (2012). Hapticity Uncovered: Real-Space Bonding Indicators for Zincocene Chemistry. Chemistry - a European journal, 18(37), pp. 11647-11661. Wiley-VCH 10.1002/chem.201200870

Grabowsky, Simon; Beckmann, Jens; Luger, Peter (2012). The Nature of Hydrogen Bonding Involving the Siloxane Group. Australian journal of chemistry, 65(7), pp. 785-795. CSIRO Publishing 10.1071/CH11468

Grabowsky, Simon; Luger, Peter; Buschmann, Jürgen; Schneider, Thomas; Schirmeister, Tanja; Sobolev, Alexandre N.; Jayatilaka, Dylan (2012). The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X-ray Diffraction Data. Angewandte Chemie (International ed.), 51(27), pp. 6776-6779. Wiley-VCH 10.1002/anie.201200745

Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H. (2012). Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation. CrystEngComm, 14(3), pp. 1083-1093. Royal Society of Chemistry 10.1039/C2CE06393J

Chęcińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter (2011). Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions. Acta crystallographica. Section B - Structural science, 67(6), pp. 569-581. Wiley-Blackwell 10.1107/S0108768111041747

Grabowsky, Simon; Weber, Manuela; Jayatilaka, Dylan; Chen, Yu-Sheng; Grabowski, Matthias T.; Brehme, Rainer; Hesse, Malte; Schirmeister, Tanja; Luger, Peter (2011). Reactivity Differences between α,β-Unsaturated Carbonyls and Hydrazones Investigated by Experimental and Theoretical Electron Density and Electron Localizability Analyses. Journal of physical chemistry. A, 115(45), pp. 12715-12732. American Chemical Society 10.1021/jp203677c

Weber, Manuela; Grabowsky, Simon; Hazra, Abhijit; Naskar, Subhendu; Banerjee, Sukdeb; Mondal, Nirup B.; Luger, Peter (2011). Electron Density of Two Bioactive Oligocyclic Indole and Oxindole Derivatives Obtained from Low-Order X-Ray Data and Invariom Application. Chemistry - an Asian journal, 6(6), pp. 1390-1397. Wiley-VCH 10.1002/asia.201000650

Mebs, Stefan; Kalinowski, Roman; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Justus, Eugen; Morgenroth, Wolfgang; Paulmann, Carsten; Luger, Peter; Gabel, Detlef; Lentz, Dieter (2011). Charge Transfer via the Dative N−B Bond and Dihydrogen Contacts. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes. Journal of physical chemistry. A, 115(8), pp. 1385-1395. American Chemical Society 10.1021/jp109576a

Grabowsky, Simon; Schirmeister, Tanja; Paulmann, Carsten; Pfeuffer, Thomas; Luger, Peter (2011). Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives. Journal of organic chemistry, 76(5), pp. 1305-1318. American Chemical Society 10.1021/jo102125n

Mebs, Stefan; Kalinowski, Roman; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Justus, Eugen; Morgenroth, Wolfgang; Paulmann, Carsten; Luger, Peter; Gabel, Detlef; Lentz, Dieter (2011). Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes. Inorganic chemistry, 50(1), pp. 90-103. American Chemical Society 10.1021/ic1013158

Grabowsky, Simon; Jayatilaka, Dylan; Mebs, Stefan; Luger, Peter (2010). The Electron Localizability Indicator from X-Ray Diffraction Data-A First Application to a Series of Epoxide Derivatives. Chemistry - a European journal, 16(43), pp. 12818-12821. Wiley-VCH 10.1002/chem.201002061

Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter (2010). Charge Transfer via the Dative N−B Bond and Dihydrogen Contacts. Experimental and Theoretical Electron Density Studies of Small Lewis Acid−Base Adducts. Journal of physical chemistry. A, 114(37), pp. 10185-10196. American Chemical Society 10.1021/jp100995n

Grabowsky, Simon; Weber, Manuela; Chen, Yu-Sheng; Lentz, Dieter; Schmidt, Bernd M.; Hesse, Malte; Luger, Peter (2010). Electron Density of Corannulene from Synchrotron Data at 12 K, Comparison with Fullerenes. Zeitschrift für Naturforschung B, 65(4), pp. 452-460. de Gruyter 10.1515/znb-2010-0403

Dittrich, Birger; Weber, Manuela; Kalinowski, Roman; Grabowsky, Simon; Hübschle, Christian B.; Luger, Peter (2009). How to easily replace the independent atom model – the example of bergenin, a potential anti-HIV agent of traditional Asian medicine. Acta crystallographica. Section B - Structural science, 65(6), pp. 749-756. Wiley-Blackwell 10.1107/S0108768109046060

Grabowsky, Simon; Kalinowski, Roman; Weber, Manuela; Förster, Diana; Paulmann, Carsten; Luger, Peter (2009). Transferability and reproducibility in electron-density studies – bond-topological and atomic properties of tripeptides of the type L-alanyl-X-L-alanine. Acta crystallographica. Section B - Structural science, 65(4), pp. 488-501. Wiley-Blackwell 10.1107/S0108768109016966

Grabowsky, Simon; Hesse, Maxie F.; Paulmann, Carsten; Luger, Peter; Beckmann, Jens (2009). How to Make the Ionic Si−O Bond More Covalent and the Si−O−Si Linkage a Better Acceptor for Hydrogen Bonding. Inorganic chemistry, 48(10), pp. 4384-4393. American Chemical Society 10.1021/ic900074r

Hübschle, Christian B.; Dittrich, Birger; Grabowsky, Simon; Messerschmidt, Marc; Luger, Peter (2008). Comparative experimental electron density and electron localization function study of thymidine based on 20 K X-ray diffraction data. Acta crystallographica. Section B - Structural science, 64(3), pp. 363-374. Wiley-Blackwell 10.1107/S0108768108005776

Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter (2008). A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds. Organic & biomolecular chemistry, 6(13), pp. 2295-2307. Royal Society of Chemistry 10.1039/b802831a

Grabowsky, Simon; Weber, Manuela; Buschmann, Jürgen; Luger, Peter (2008). Experimental electron density study of ethylene oxide at 100 K. Acta crystallographica. Section B - Structural science, 64(3), pp. 397-400. Wiley-Blackwell 10.1107/S0108768108010197

Beckmann, Jens; Grabowsky, Simon (2007). Supramolecular Silanol Chemistry in the Gas Phase. Topological (AIM) and Population (NBO) Analyses of Hydrogen-Bonded Complexes between H 3 SiOH and Selected O- and N-Acceptor Molecules. Journal of physical chemistry. A, 111(10), pp. 2011-2019. American Chemical Society 10.1021/jp0672712

Grabowsky, Simon; Pfeuffer, Thomas; Chęcińska, Lilianna; Weber, Manuela; Morgenroth, Wolfgang; Luger, Peter; Schirmeister, Tanja (2007). Electron-Density Determination of Electrophilic Building Blocks as Model Compounds for Protease Inhibitors. European journal of organic chemistry, 2007(17), pp. 2759-2768. Wiley-VCH 10.1002/ejoc.200601074

This list was generated on Wed Jun 3 00:34:49 2020 CEST.

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News & Social Media

Moving to Bern

The group of Prof. Simon Grabowsky will be moving to the DCB at the beginning of August 2019.

06.06.19

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