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List of works by Thomas Weymuth

A Local-Mode Model for Understanding the Dependence of the Extended Amide III Vibrations on Protein Secondary Structure ⬇️

scientific article published on August 19, 2010

Characteristic Raman optical activity signatures of protein β-sheets

scientific article published on 25 September 2013

Gradient-driven molecule construction: An inverse approach applied to the design of small-molecule fixating catalysts ⬇️

How Many Chiral Centers Can Raman Optical Activity Spectroscopy Distinguish in a Molecule?

Identifying Protein β-Turns with Vibrational Raman Optical Activity ⬇️

scientific article published on March 22, 2011

Inverse quantum chemistry: Concepts and strategies for rational compound design ⬇️

article

M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations

scientific article

New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals ⬇️

scientific article published on 3 July 2014

Redox-Active Chiroptical Switching in Mono- and Bis-Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity

Resonance Effects in the Raman Optical Activity Spectrum of [Rh(en)3]3

scientific article published on 17 October 2019

Statistical Analysis of Semiclassical Dispersion Corrections

Systematic dependence of transition-metal coordination energies on density-functional parametrizations

The transferability limits of static benchmarks

scientific article published in 2022

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