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Terahertz circular dichroism spectroscopy of molecular assemblies and nanostructures
Chemical, physical, biological and materials engineering disciplines use a variety of
chiroptical spectroscopies to probe geometrical and optical asymmetry in molecules and …
chiroptical spectroscopies to probe geometrical and optical asymmetry in molecules and …
Modelling solute–solvent interactions in VCD spectra analysis with the micro-solvation approach
C Merten - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Vibrational circular dichroism (VCD) spectroscopy has become an important part of the
(stereo-) chemists' toolbox as a reliable method for the determination of absolute …
(stereo-) chemists' toolbox as a reliable method for the determination of absolute …
After 50 years of vibrational circular dichroism spectroscopy: Challenges and opportunities of increasingly accurate and complex experiments and computations
VCD research continues to thrive, driven by ongoing experimental and theoretical advances.
Modern studies deal with increasingly complex samples featuring weak intermolecular …
Modern studies deal with increasingly complex samples featuring weak intermolecular …
Pushing the boundaries of VCD spectroscopy in natural product chemistry
T Vermeyen, ANL Batista, AL Valverde… - Physical Chemistry …, 2023 - pubs.rsc.org
Vibrational circular dichroism (VCD) is one of the most powerful techniques to assess the
stereochemistry of chiral molecules in solution state. The need for quantum chemical …
stereochemistry of chiral molecules in solution state. The need for quantum chemical …
Accurate and efficient prediction of vibrational circular dichroism spectra of condensed-phase systems with the generalized energy-based fragmentation method
D Zhao, K Liao, B Hong, W Li, S Li - Electronic Structure, 2023 - iopscience.iop.org
The vibrational circular dichroism (VCD) spectra could determine the molecular chirality of
condensed-phase systems, but their quantum chemistry calculations are costly. The …
condensed-phase systems, but their quantum chemistry calculations are costly. The …
Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning
Abstract Vibrational Circular Dichroism (VCD) spectra often differ strongly from one
conformer to another, even within the same absolute configuration of a molecule. Simulated …
conformer to another, even within the same absolute configuration of a molecule. Simulated …
Molecular properties controlling chirality transfer to halide perovskite: computational insights
Interfacing chiral molecules with achiral semiconductor nanomaterials has been shown to
induce chiroptical (ie, preferential absorption of circularly polarized light) signatures. This …
induce chiroptical (ie, preferential absorption of circularly polarized light) signatures. This …
Electronic circular dichroism‐circularly polarized Raman (eCP‐Raman): a new form of chiral Raman spectroscopy
This Concept article summarizes recent work on the development of a new form of chiral
Raman spectroscopy, eCP‐Raman, which combines two spectroscopies: electronic circular …
Raman spectroscopy, eCP‐Raman, which combines two spectroscopies: electronic circular …
Comparison of different density functional theory methods for the calculation of vibrational circular dichroism spectra
J Groß, J Kühlborn, S Pusch, C Weber, L Andernach… - Chirality, 2023 - Wiley Online Library
The determination of the absolute configuration (AC) of an organic molecule is still a
challenging task for which the combination of spectroscopic with quantum‐mechanical …
challenging task for which the combination of spectroscopic with quantum‐mechanical …
[PDF][PDF] Machine learning for vibrational circular dichroism: constructing novel and accelerating established applications
T Vermeyen - 2023 - biblio.ugent.be
Plenty of natural chemical compounds are chiral and their stereoisomers tend to interact
differently with other chiral compounds. This is of great importance in for instance medicinal …
differently with other chiral compounds. This is of great importance in for instance medicinal …