Publications in the spotlight

Binding modes of phosphonic acid derivatives adsorbed on $TiO_{2}$ surfaces : assignments of experimental IR and NMR spectra based on DFT/PBC calculations
Geldof Davy   Tassi M.   Carleer R.   Adriaensens P.   Roevens Annelore   Meynen Vera   Blockhuys Frank  
Surface science: a journal devoted to the physics and chemistry of interfaces - ISSN 0039-6028-655 (2017) p. 31-38
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Quantum chemical mass spectrometry : verification and extension of the mobile proton model for histidine
Cautereels Julie   Blockhuys Frank  
Journal of the American Society for Mass Spectrometry - ISSN 1044-0305-28:6 (2017) p. 1227-1235
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Quantum chemical mass spectrometry : $\mathit{ab}$ $\mathit{initio}$ prediction of electron ionization mass spectra and identification of new fragmentation pathways
Cautereels Julie   Claeys Magda   Geldof Davy   Blockhuys Frank  
Journal of mass spectrometry - ISSN 1076-5174-51:8 (2016) p. 602-614
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Experimental and computational study on the structure and properties of herz cations and radicals: 1,2,3-benzodithiazolium, 1,2,3-benzodithiazolyl, and their Se congeners
Makarov Alexander Yu.   Blockhuys Frank   Bagryanskaya Irina Yu.   Gatilov Yuri V.   Shakirov Makhmut M.   Zibarev Andrey V.  
Inorganic chemistry - ISSN 0020-1669-52:7 (2013) p. 3699-3710
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Asymmetrically substituted distyrylbenzenes and their polar crystal structures
Collas Alain   de Borger Roeland   Amanova Tatyana   Vande Velde Christophe   Baeke Jan   Dommisse Roger   Van Alsenoy Christian   Blockhuys Frank  
New journal of chemistry - ISSN 1144-0546-35:3 (2011) p. 649-662
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