
Christoph Jacob
@chjacob
Professor for Theoretical Chemistry, Vice-Dean of the Faculty of Life Sciences @tuBraunschweig. Profile Pic: A. Bormann / TU BS
ID: 19810041
https://berlin.social/@chjacob 31-01-2009 09:12:29
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How can one apply the quantum-chemical gold-standard CCSD(T) to large water clusters? The density-based many-body expansion provides an efficient fragment-based approach, with excellent accuracy already at the two-body level. Christoph Jacob TU Braunschweig go.acs.org/6JE


Using quantum-chemical calculations, the group of Christoph Jacob @tubraunschweig predicts that 2D-IR spectra of the extended amide III vibrations can be used to probe the secondary structure of proteins. go.acs.org/78L










Recently Serenity was featured the ten year update of a subsystem DFT focussed review by Johannes and Christoph (Christoph Jacob). Time flies when you are developing sDFT! 😄 doi.org/10.1002/wcms.1…


Glorious start to #STC2024 by Christoph Jacob and Jonny Proppe TU Braunschweig #compchem
