Electrocatalytic conversion of carbon dioxide to fuels: a review on the interaction between CO2 and the liquid electrolyte
The electrochemical reduction of carbon dioxide using renewable energy resources can
potentially accomplish the carbon‐neutral energy cycle while synthesizing fuels …
potentially accomplish the carbon‐neutral energy cycle while synthesizing fuels …
Mechanism of the Gaseous Hydrolysis Reaction of SO2: Effects of NH3 versus H2O
Effects of ammonia and water molecules on the hydrolysis of sulfur dioxide are investigated
by theoretical calculations of two series of the molecular clusters SO2-(H2O) n (n= 1–5) and …
by theoretical calculations of two series of the molecular clusters SO2-(H2O) n (n= 1–5) and …
Interplay of Hydrogen, Pnicogen, and Chalcogen Bonding in X(H2O)n=1–5 (X = NO, NO+, and NO–) Complexes: Energetics Insights via a Molecular Tailoring …
Nitric oxide (NO) and its redox congeners (NO+ and NO–), designated as X, play vital roles
in various atmospheric and biological events. Understanding the interaction between X and …
in various atmospheric and biological events. Understanding the interaction between X and …
[HTML][HTML] Communication: THz absorption spectrum of the CO2–H2O complex: Observation and assignment of intermolecular van der Waals vibrations
J Andersen, J Heimdal, DW Mahler… - The Journal of …, 2014 - pubs.aip.org
Terahertz absorption spectra have been recorded for the weakly bound CO 2–H 2 O
complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der …
complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der …
Uncovering supercritical CO2 wood dewatering via interleaved 1H-imaging and 13C-spectroscopy with real-time reconstruction
RA Franich, R Meder, M Falge, J Fuchs… - The Journal of …, 2019 - Elsevier
Real-time observation of green radiata pine sapwood specimens undergoing dewatering
using a cyclical process in which supercritical CO 2 changes to gas phase has been …
using a cyclical process in which supercritical CO 2 changes to gas phase has been …
Evidence for the formation of stable CO2 hydrates in zeolite NaY: Structural characterization by synchrotron X-ray powder diffraction
R Arletti, L Gigli, F Di Renzo, S Quartieri - Microporous and Mesoporous …, 2016 - Elsevier
Preferential adsorption of water is a major problem in the processes of CO 2 adsorption on
molecular sieves. Adsorption and desorption of CO 2 on partially hydrated zeolite Nasingle …
molecular sieves. Adsorption and desorption of CO 2 on partially hydrated zeolite Nasingle …
Vibrational investigations of CO2-H2O, CO2-(H2O) 2, and (CO2) 2-H2O complexes isolated in solid neon
P Soulard, B Tremblay - The Journal of Chemical Physics, 2015 - pubs.aip.org
The van der Waals complex of H 2 O with CO 2 has attracted considerable theoretical
interest as a typical example of a weak binding complex with a dissociation energy less than …
interest as a typical example of a weak binding complex with a dissociation energy less than …
First-principles investigation on the structural stability of methane and ethane clathrate hydrates
L Xu, X Wang, L Liu, M Yang - Computational and Theoretical Chemistry, 2011 - Elsevier
Clathrate hydrates are characterized by their hydrogen-bond linked cavities that can
encapsulate guest molecules. First-principles calculations were performed in this study to …
encapsulate guest molecules. First-principles calculations were performed in this study to …
High-Level Ab Initio Predictions of the Energetics of mCO2·(H2O)n (n = 1–3, m = 1–12) Clusters
KS Thanthiriwatte, JR Duke, VE Jackson… - The Journal of …, 2012 - ACS Publications
Electronic structure calculations at the correlated molecular orbital theory and density
functional theory levels have been used to generate a reliable set of clustering energies for …
functional theory levels have been used to generate a reliable set of clustering energies for …
Microsolvation of DMSO: Density functional study on the structure and polaraizabilities
NS Venkataramanan - International Journal of Quantum …, 2012 - Wiley Online Library
The structure and stability for the association of water with dimethyl sulfoxide (DMSO) are
investigated using the density functional M06‐2X level theory. Stable complexes are formed …
investigated using the density functional M06‐2X level theory. Stable complexes are formed …