Jörg Grunenberg

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Jörg Grunenberg (* 1967 in Kulmbach ) is a German chemist and university professor at the TU Braunschweig .

Life

Grunenberg studied chemistry at the University of Erlangen-Nuremberg , where he received his diploma in 1993. In 1997 he received his doctorate in Erlangen with Rainer Herges with the dissertation parameterization of quantum mechanical calculations of molecular vibrations and then worked as a postdoc in Braunschweig (1998–2000). His cumulative habilitation thesis was entitled Compliance Matrices for Calculating Bond Strengths in Chemistry (TU Braunschweig 2009). In 2006 he became a private lecturer. The title of “Extraordinary Professor” was awarded to him in 2013 by the Technical University of Braunschweig.

research

Grunenberg deals with the simulation and prediction of molecules and their properties with the help of computers. The focus is on the development of methods for interpreting the quantum chemical raw data. He is editor of a standard work on computational spectroscopy and co-author of the computer program COMPLIANCE for the calculation of mechano-chemical properties. He is interested in the emergence of the emergent phenomenon of molecule recognition in biochemistry and the weak non- covalent interactions involved. For the study of these non-covalent weak bonds, which are important in biochemistry, he developed the method of generalized compliance matrices where compliance constants (inverse force constants ) describe the strength of the bond. For example, he used this to describe the bonds between the base pairs of DNA . Another focus of his research is the derivation of spectroscopic properties of molecules with the help of computer simulations. He is critical of the overinterpretation of numerical molecular simulations.

Grunenberg also publishes regularly on general research policy topics. In 2017, for example, in an article for the journal Research & Teaching, he drew attention to the consequences of the commercialization of science for the situation of university libraries in Germany using the example of the American Chemical Society (ACS) pricing policy : According to Grunenberg, the ACS ( although officially a "non-profit" organization), alongside the major scientific publishers, is another driving force behind the magazine crisis. The multi-year contracts for electronic access generally contain very high, purely profit-oriented price increases. For the TU Braunschweig, the costs for online access to the ACS journals have more than doubled from around 35,000 to 72,000 euros in the period from 2012 to 2017, for example. According to Grunenberg, however, this does not seem to be an isolated case. As the director of Harvard University Library, Robert Darnton, has calculated, a chemistry journal in 1970 cost an average of $ 33 a year. Today the cost is $ 4,044.

Publications

Books

  • Computational spectroscopy: methods, experiments and applications . Wiley-VCH, Weinheim 2010, ISBN 978-3-527-32649-5 .

Fonts (selection)

  • Jörg Grunenberg: The interstitially bound carbon of nitrogenase is much more stable than previously assumed . In: Angewandte Chemie . tape 129 , p. 7394–7397 , doi : 10.1002 / anie.201701790 , PMC 4902031 (free full text).
  • Intrinsic bond strengths of CC, Si-Si and C-Si multiple bonds . In: Angewandte Chemie . tape 113 , no. 21 , 2001, p. 4150-4153 , doi : 10.1002 / 1521-3757 (20011105) 113: 21 <4150 :: AID-ANGE4150> 3.0.CO; 2-K .
  • Direct Assessment of Interresidue Forces in Watson − Crick Base Pairs Using Theoretical Compliance Constants , J. Am. Chem. Soc., Vol. 126, 2004, pp. 16310-16311
  • Efficient Room-Temperature Alkyne Metathesis with Well-Defined Imidazolin-2-iminato Tungsten Alkylidyne Complexes . In: Angewandte Chemie . tape 46 , no. 46 , 2007, p. 8890-8894 , doi : 10.1002 / anie.200703184 .
  • Anion Binding to Resorcinarene-Based Cavitands: The Importance of CH ⋅⋅⋅ Anion Interactions . In: Angewandte Chemie . tape 47 , no. 4 , 2007, p. 788-792 , doi : 10.1002 / anie.200703451 .
  • with Kai Brandhorst: How strong is it? The interpretation of force and compliance constants as bond strength descriptors , Chemical Society Reviews, Volume 37, 2008, pp. 1558-1567
  • Quantum chemistry: Quadruply bonded , Nature Chemistry, Volume 4, 2012, pp. 154/155
  • Complexity in molecular recognition , Physical Chemistry Chemical Physics, Volume 23, 2011, pp. 10136-10146
  • Can kinetically labile CC bonds be recognized in the ground state of a molecule? In: Angewandte Chemie . tape 125 , no. 40 , 2013, p. 10842-10845 , doi : 10.1002 / anie.201303821 .
  • Effective in silico prediction of new oxazolidinone antibiotics: force field simulations of the antibiotic-ribosome complex supervised by experiment and electronic structure methods . In: Beilstein Journal of Organic Chemistry . tape 12 , no. 1 , March 4, 2016, p. 415-428 , doi : 10.3762 / bjoc.12.45 , PMC 4902031 (free full text).
  • Maybe even right - but still pointless: Poorly defined concepts in chemistry , Nachrichten aus der Chemie, Volume 64, 2016, pp. 773–775

Web links

Individual evidence

  1. ↑ apl. Prof. Dr. Jörg Grunenberg. Retrieved February 10, 2018 .
  2. ↑ RESEARCH. Retrieved February 10, 2018 .
  3. ^ Ill-Defined Concepts in Computational Chemistry. Retrieved February 27, 2018 .
  4. ↑ The Consequences of Commercialization for Scientific Literature. Retrieved February 9, 2018 .
  5. ^ Google & the Future of Books. Retrieved March 8, 2018 .
personal data
SURNAME Grunenberg, Jörg
BRIEF DESCRIPTION German chemist and university professor
DATE OF BIRTH 1967
PLACE OF BIRTH Kulmbach