Hydrogen fuel cell vehicles: Opportunities and challenges

Q Hassan, IDJ Azzawi, AZ Sameen, HM Salman - Sustainability, 2023 - mdpi.com
This paper provides an in-depth review of the current state and future potential of hydrogen
fuel cell vehicles (HFCVs). The urgency for more eco-friendly and efficient alternatives to …

[HTML][HTML] Hydrogen-Powered Vehicles: A Paradigm Shift in Sustainable Transportation

B Kurc, X Gross, N Szymlet, Ł Rymaniak, K Woźniak… - Energies, 2024 - mdpi.com
The global shift towards sustainable energy solutions has prompted a reevaluation of
traditional transportation methods. In this context, the replacement of electric cars with …

Energetic and Electronic Properties of UO0/± and UF0/±

JGF Romeu, ARE Hunt, GF de Melo… - The Journal of …, 2024 - ACS Publications
High-level electronic structure calculations were conducted to examine the bonding and
spectroscopic properties of the UO0/±and UF0/±diatomic molecules. The low-lying Ω states …

Thermochemistry

B Ruscic, DH Bross - Computer aided chemical engineering, 2019 - Elsevier
A practical guide to essential thermochemical concepts is presented, with particular focus on
aspects that are relevant in mathematical modeling of complex reactive systems in gas …

CheKiPEUQ intro 1: Bayesian parameter estimation considering uncertainty or error from both experiments and theory

A Savara, EA Walker - ChemCatChem, 2020 - Wiley Online Library
A common goal is extraction of physico‐chemical parameter values such as pre‐
exponentials and activation energies from experiment. Ever increasing knowledge from …

Chiral molecule candidates for trapped ion spectroscopy by ab initio calculations: From state preparation to parity violation

A Landau, D Behar, ER Wallach, LF Pašteka… - The Journal of …, 2023 - pubs.aip.org
Parity non-conservation (PNC) due to the weak interaction is predicted to give rise to
enantiomer dependent vibrational constants in chiral molecules, but the phenomenon has …

Theoretical and Experimental Study of the Spectroscopy and Thermochemistry of UC+/0/–

GF de Melo, M Vasiliu, G Liu… - The Journal of …, 2022 - ACS Publications
A combination of high-level ab initio calculations and anion photoelectron detachment (PD)
measurements is reported for the UC, UC–, and UC+ molecules. To better compare the …

Influence of γ–radiation input dose and post-radiation high temperature shear grinding on polypropylene functional group composition

SR Allayarov, MP Confer, TN Rudneva… - Polymer Degradation …, 2024 - Elsevier
The effect of γ-irradiation in vacuum and air followed by HTSG of polypropylene (PP) is
studied using both infrared (IR) spectroscopy and computational chemistry at the correlated …

Refining the thermochemical properties of CF, SiF, and their cations by combining photoelectron spectroscopy, quantum chemical calculations, and the Active …

U Jacovella, B Ruscic, NL Chen, HL Le… - Physical Chemistry …, 2023 - pubs.rsc.org
Fluorinated species have a pivotal role in semiconductor material chemistry and some of
them have been detected beyond the Earth's atmosphere. Achieving good energy accuracy …

Electronic Properties of UN and UN from Photoelectron Spectroscopy and Correlated Molecular Orbital Theory

GF de Melo, M Vasiliu, G Liu… - The Journal of …, 2022 - ACS Publications
The results of calculations of the properties of the anion UN–including electron detachment
are described, which further expand our knowledge of this diatomic molecule. High-level …