Prebiotic chemistry themed issue

An Intermediate Level of Abstraction for Computational Systems Chemistry

Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, because precise information on the molecular composition, the dominant reaction chemistry and the conditions for that era are scarce. The exploration of large chemical reaction networks is a central aspect in this endeavour. While quantum chemical methods can accurately pre...

Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces.

In this Introduction, we show the basic problems of non-statistical and non-equilibrium phenomena related to the papers collected in this themed issue. Over the past few years, significant advances in both computing power and development of theories have allowed the study of larger systems, increasing the time length of simulations and improving the quality of potential energy surfaces. In part...

Physical Chemistry Chemical Physics This paper is published as part of a PCCP Themed Issue on: Water at interfaces

XUV/X-ray light and fast ions for ultrafast chemistry.

The deposition of large amounts of energy in a molecule by XUV/X-ray photon absorption or fast-ion collision, triggers a set of complex ultrafast electronic and nuclear dynamics that allow a deep understanding and control of chemical reactivity. This themed issue showcases the research performed in the understanding, monitoring and control of these processes.

PREBIOTIC CHEMISTRY Borate Minerals and Origin of the RNAWorld

The RNA World is generally thought to have been an important link between purely prebiotic (>3.7 Ga) chemistry and modern DNA/protein biochemistry. One concern about the RNAWorld hypothesis is the geochemical stability of ribose, the sugar moiety of RNA. Prebiotic stabilization of ribose by solutions associated with borate minerals, notably colemanite, ulexite, and kernite, has been proposed as...