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Recent Trends in Chiroptical Spectroscopy: Theory and Applications of Vibrational Circular Dichroism and Raman Optical Activity

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TLDR
New chiroptical phenomena have been observed, such as enhanced circular dichroism of biopolymers (protein fibrils, nucleic acids), plasmonic and resonance chirality-transfer ROA experiments, and some of them are not yet understood or attributed to instrumental artifacts so far.
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Pathways to increase the dissymmetry in the interaction of chiral light and chiral molecules.

TL;DR: In this article, the authors assess the magnitude of the measured chiroptical response for a variety of chiral systems, ranging from small molecules to large supramolecular assemblies.
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Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function

TL;DR: It is shown that the rotational strengths, related to the intensity of the VCD signal, contain a new contribution beyond-BO that can be evaluated with the NVPT and that only arises when the exact factorization approach is employed.
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Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems

TL;DR: A multiscale approach is discussed, which is developed and challenged to model the most used chiroptical techniques, and able to account for the peculiarities of water-solute interactions, and especially its ability to form hydrogen bonds.
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Two Spectroscopies in One: Interference of Circular Dichroism and Raman Optical Activity

TL;DR: Results indicate that a combination of electronic circular dichroism (ECD) with the polarized Raman scattering is responsible for the effect, and the insight and the possibility to predict the chirality transfer promise future applications in spectroscopy, chemical analysis and polarized imaging.
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Measures of helicity and chirality of optical vortex beams

TL;DR: In this paper, the optical helicity and optical chirality of monochromatic Laguerre-Gaussian optical vortex beams are derived up to second order in the paraxial parameter kw 0.
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Journal ArticleDOI

Quantum mechanical continuum solvation models.

TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
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Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.

TL;DR: The conductor‐like solvation model, as developed in the framework of the polarizable continuum model (PCM), has been reformulated and newly implemented in order to compute energies, geometric structures, harmonic frequencies, and electronic properties in solution for any chemical system that can be studied in vacuo.
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Alzheimer's disease: the amyloid cascade hypothesis

TL;DR: An extensive catalog of genes that act in a migrating cell is provided, unique molecular functions involved in nematode cell migration are identified, and similar functions in humans are suggested.
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Ionic Liquids-New "Solutions" for Transition Metal Catalysis.

TL;DR: There are indications that switching from a normal organic solvent to an ionic liquid can lead to novel and unusual chemical reactivity, which opens up a wide field for future investigations into this new class of solvents in catalytic applications.
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Pathways towards and away from Alzheimer's disease

TL;DR: Rapid progress towards understanding the cellular and molecular alterations that are responsible for the neuron's demise may soon help in developing effective preventative and therapeutic strategies in Alzheimer's disease.
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