Population analysis and the effects of Gaussian basis set quality and quantum mechanical approach: main group through heavy element species
SC North, KR Jorgensen, J Pricetolstoy… - Frontiers in …, 2023 - frontiersin.org
Atomic charge and its distribution across molecules provide important insight into chemical
behavior. Though there are many studies on various routes for the determination of atomic …
behavior. Though there are many studies on various routes for the determination of atomic …
[HTML][HTML] Determinism of formamide-based biogenic prebiotic reactions
Formamide reacted in the presence of a catalyst and of a source of energy affords a rich and
complex panel of compounds, including amino acids, amino sugars, nucleic bases …
complex panel of compounds, including amino acids, amino sugars, nucleic bases …
Cold Ion–Molecule Reactions in the Extreme Environment of a Coulomb Crystal
OA Krohn, HJ Lewandowski - The Journal of Physical Chemistry …, 2024 - ACS Publications
Coulomb crystals provide a unique environment in which to study ion-neutral gas-phase
reactions. In these cold, trapped ensembles, we are able to study the kinetics and dynamics …
reactions. In these cold, trapped ensembles, we are able to study the kinetics and dynamics …
Electrospray deposition of starch-containing laccase: A green technique for low-cost and eco-friendly biosensors
Recently a laccase-based biosensors with unprecedented reuse and storage capabilities in
the detection of catechol compound has been manufactured using ambient Electrospray …
the detection of catechol compound has been manufactured using ambient Electrospray …
Fragmentation of interstellar methanol by collisions with He˙+: an experimental and computational study
Methanol is a key species in astrochemistry as its presence and reactivity provides a primary
route to the synthesis of more complex interstellar organic molecules (iCOMs) that may …
route to the synthesis of more complex interstellar organic molecules (iCOMs) that may …
Ion Chemistry of Carbon Dioxide in Nonthermal Reaction with Molecular Hydrogen
The exothermic hydrogen transfer from H2 to CO2·+ leading to H and HCO2+ is investigated
in a combined experimental and theoretical work. The experimental mass/charge ratios of …
in a combined experimental and theoretical work. The experimental mass/charge ratios of …
Formation of H 3 O+ and OH by CO 2 and N 2 O trace gases in the atmospheric environment
The impact of cosmic rays' energetic subatomic particles on climate and global warming is
still controversial and under debate. Cosmic rays produce ions that can trigger fast reactions …
still controversial and under debate. Cosmic rays produce ions that can trigger fast reactions …
H 2 O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
Radiotherapy is one of the most widespread and efficient strategies to fight malignant
tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still …
tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still …
Infrared action spectroscopy as tool for probing gas-phase dynamics: protonated dimethyl ether, (CH3)2OH+, formed by the reaction of CH3OH2+ with CH3OH
Methanol is one of the most abundant interstellar Complex Organic Molecules (iCOMs) and
represents a major building block for the synthesis of increasingly complex oxygen …
represents a major building block for the synthesis of increasingly complex oxygen …
Ionic Route to Atmospheric Relevant HO2 and Protonated Formaldehyde from Methanol Cation and O2
Gas-phase ion chemistry influences atmospheric processes, particularly in the formation of
cloud condensation nuclei by producing ionic and neutral species in the upper troposphere …
cloud condensation nuclei by producing ionic and neutral species in the upper troposphere …