Possible chemical and physical scenarios towards biological homochirality

Q Sallembien, L Bouteiller, J Crassous… - Chemical Society …, 2022 - pubs.rsc.org
The single chirality of biological molecules in terrestrial biology raises more questions than
certitudes about its origin. The emergence of biological homochirality (BH) and its …

Quantum computing for molecular biology

A Baiardi, M Christandl, M Reiher - ChemBioChem, 2023 - Wiley Online Library
Molecular biology and biochemistry interpret microscopic processes in the living world in
terms of molecular structures and their interactions, which are quantum mechanical by their …

Molecular growth of PANH via intermolecular Coulombic decay

S Barik, NR Behera, S Dutta, RK Kushawaha… - Science …, 2023 - science.org
Nitrogen-bearing polycyclic aromatic hydrocarbons (PANHs) are ubiquitous in space. They
are considered precursors to advanced biomolecules identified in meteorites. However, their …

The performance of hybrid and F12/F12c explicitly correlated coupled cluster methods for use in anharmonic vibrational frequency computations

AG Watrous, BR Westbrook… - International Journal of …, 2023 - Wiley Online Library
A hybrid quartic force field approach produces the same accuracies as non‐hybrid methods
but for less than one quarter of the computational time. This method utilizes explicitly …

Exploring and map** chemical space with molecular assembly trees

Y Liu, C Mathis, MD Bajczyk, SM Marshall… - Science …, 2021 - science.org
The rule-based search of chemical space can generate an almost infinite number of
molecules, but exploration of known molecules as a function of the minimum number of …

Physics and chemistry on the surface of cosmic dust grains: A laboratory view

A Potapov, M McCoustra - International Reviews in Physical …, 2021 - Taylor & Francis
Dust grains play a central role in the physics and chemistry of cosmic environments. They
influence the optical and thermal properties of the medium due to their interaction with stellar …

Infrared spectra of amorphous and crystalline urea ices

V Timón, B Maté, VJ Herrero, I Tanarro - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Urea is a molecule of great interest in chemistry and biology. In particular, it is considered a
key building block in prebiotic chemistry on Earth. The hypothesis of its possible exogenous …

Quantum chemical exploration of the binding motifs and binding energies of neutral molecules, radicals and ions with small water clusters: characterisation and …

J Hendrix, PP Bera, TJ Lee, M Head-Gordon - Molecular Physics, 2024 - Taylor & Francis
Accurate binding energies of molecules to water clusters are relevant for understanding
intermolecular interactions and various chemical applications. They enter models of …

Organic matter in the Asteroid Ryugu: what we know so far

C Potiszil, M Yamanaka, C Sakaguchi, T Ota… - Life, 2023 - mdpi.com
Simple Summary Organic matter is an integral part of all living things on our planet, but
abiotic (not relating to life) organic matter can be found throughout the Solar System within …

Quantum Chemistry and Astrochemistry: A Match Made in the Heavens

RC Fortenberry - The Journal of Physical Chemistry A, 2024 - ACS Publications
Quantum chemistry can uniquely answer astrochemical questions that no other technique
can provide. Computations can be parallelized, automated, and left to run continuously …