Results 61 to 70 of about 30,941 (214)

CH_4/H_2O/H_2-assisted thermocatalytic CO_2 conversion mechanisms: A review

open access: yes能源环境保护, 2023
The ability to produce high-grade fuels and chemicals by reutilizing CO_2 is becoming indisputably realizable thanks to the development of knowledge of certain mechanisms and progress in the ability to use existing technologies.
MA Danni   +6 more
doaj   +1 more source

Unlocking n‐alk‐1‐ynes conformers: Quantum “trigger finger” versus “stiff joint” conformations

open access: yesSmart Molecules, EarlyView.
Quantum chemical analysis reveals the unique function of n‐alk‐1‐yne terminus as a Quantum “Trigger Finger,” exhibiting two near‐isoenergetic conformers (Cs ${\mathrm{C}}_{s}$and C1 ${\mathrm{C}}_{1}$) locked by a symmetric high barrier. This contrasts with the lower asymmetric barrier of the conventional asymmetric “Stiff Joint” alkyl chain.
Ioan Bâldea
wiley   +1 more source

The Profile of Students’ Self-Efficacy in Using Chemdroid Media in Thermochemistry Topics

open access: yesJournal of Educational Chemistry, 2021
Self-efficacy is one of the factors that affect learning achievement. This study has the aim of analyzing the self-efficacy profile of students in learning using Chemdroid (Chemistry on Android) media.
Febrian Solikhin, Andang Wijanarko
doaj   +1 more source

An Assessment of Computational Methods for Calculating Accurate Structures and Energies of Bio-Relevant Polysulfur/Selenium-Containing Compounds

open access: yesMolecules, 2018
The heavier chalcogens sulfur and selenium are important in organic and inorganic chemistry, and the role of such chalcogens in biological systems has recently gained more attention.
Sahar Nikoo   +3 more
doaj   +1 more source

Ion-water clusters, bulk medium effects, and ion hydration

open access: yes, 2011
Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion.
Allen M. P.   +4 more
core   +1 more source

The Dithiirane–Thiosulfine Equilibrium Revisited—A Computational Study of Structure, Thermodynamics and Kinetics

open access: yesJournal of Physical Organic Chemistry, Volume 39, Issue 6, June 2026.
The dithiirane–thiosulfine equilibrium has been revisited by means of modern computational chemistry tools to shed light on whether stable thiosulfines might be isolated. ABSTRACT Thiosulfines as reactive S‐centered 1,3‐dipoles undergoing (3 + 2)‐cycloadditions are still of interest in the chemistry of sulfur‐rich heterocycles.
Dirk Buddensiek, Thomas Behrens
wiley   +1 more source

The temperature dependence of the isothermal bulk modulus at 1 bar pressure [PDF]

open access: yes, 2006
It is well established that the product of the volume coefficient of thermal expansion and the bulk modulus is nearly constant at temperatures higher than the Debye temperature.
A. Laugier   +7 more
core   +2 more sources

Elucidating the Solvent‐Dependent Solvation and Structural Stability of Irinotecan: A Molecular Simulation Study

open access: yesChemPhysChem, Volume 27, Issue 8, 28 April 2026.
The solvation preference of irinotecan is governed by a competition between cavity formation and electrostatic stabilization. Computations reveal that the high cost of breaking water's hydrogen bond network outweighs its electrostatic benefits. In contrast, polar aprotic solvents (e.g., pyridine) offer an optimal thermodynamic balance, providing strong
Martin M. Bitabo   +4 more
wiley   +1 more source

The effectiveness of thermochemistry’s ludo game media for improving students’ learning outcomes and collaboration skills

open access: yesJurnal Inovasi dan Teknologi Pembelajaran
This study measured the effectiveness of using Ludo game media on thermochemistry on students’ learning outcomes and collaboration skills. This study used a group pretest-posttest design with a purposive sampling technique involving class XI-2 with 33 ...
Anna Jurniar, Stephani Yunita Siahaan
doaj   +1 more source

The influence of non-equilibrium dissociation on the flow produced by shock impingement on a blunt body [PDF]

open access: yes, 2004
We describe an investigation of the effects of non-equilibrium thermochemistry on the interaction between a weak oblique shock and the strong bow shock formed by a blunt body in hypersonic flow.
Hornung, H. G.   +2 more
core   +1 more source

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