Combining synchrotron vacuum-ultraviolet photoionization mass spectrometry and gas chromatography–mass spectrometry for isomer-specific mechanistic analysis …

G Xu, H Wang, J Zhang, J Gao, J Guan, Q Xu… - Nature …, 2024 - nature.com
Elucidating the formation mechanism of polycyclic aromatic hydrocarbons (PAHs) is crucial
to understand processes in the contexts of combustion, environmental science …

Conformer-Specific Photoelectron Spectroscopy of Carbonic Acid: H2CO3

K Kanayama, H Nakamura, K Maruta… - The Journal of …, 2024 - ACS Publications
Carbonic acid (H2CO3) is a fundamental species in biological, ecological, and astronomical
systems. However, its spectroscopic characterization is incomplete because of its reactive …

Unconventional gas-phase synthesis of biphenyl and its atropisomeric methyl-substituted derivatives

SJ Goettl, C He, Z Yang, RI Kaiser, A Somani… - Physical Chemistry …, 2024 - pubs.rsc.org
The biphenyl molecule (C12H10) acts as a fundamental molecular backbone in the
stereoselective synthesis of organic materials due to its inherent twist angle causing …

DFT formalism studies on the structural and electronic properties of hexagonal graphene quantum dot with B, N and Si substitutional impurities

KMM Martínez, FMN Maldonado - Revista Mexicana de Física, 2024 - rmf.smf.mx
The study of carbon-based nanostructured materials is a highly active research field, that
has made significant progress in the study of twodimensional materials and …

[PDF][PDF] Understanding and Modeling the Reaction Mechanism of Carbonate and Phosphate Esters

K KANAYAMA - tohoku.repo.nii.ac.jp
This dissertation aimed to understand and model the pyrolysis and oxidation mechanisms of
carbonate and phosphate esters. With the increasing demand for lithium-ion batteries (LIBs) …

Computational study of the energy gap of benzenoid hydrocarbons through topological descriptors

NC D'Ausilio - 2022 - politesi.polimi.it
The comprehension of the link between the topological properties and the electronic
properties of materials is of primary interest. In this Thesis, the investigation regarded the …