Results 31 to 40 of about 30,941 (214)

Theoretical Study of an Undisclosed Reaction Class: Direct H-Atom Abstraction from Allylic Radicals by Molecular Oxygen

open access: yesEnergies, 2021
The 1-methylallyl (C4H71-3) allylic radical is an important intermediate species in oxidation of linear C4 unsaturated hydrocarbons (1-butene, 2-butene, and 1,3-butadiene).
Yang Li   +4 more
doaj   +1 more source

A definitive heat of vaporization of silicon through benchmark ab initio calculations on SiF_4 [PDF]

open access: yes, 1999
In order to resolve a significant uncertainty in the heat of vaporization of silicon -- a fundamental parameter in gas-phase thermochemistry -- $\Delta H^\circ_{f,0}$[Si(g)] has been determined from a thermochemical cycle involving the precisely known ...
Martin, Jan M. L., Taylor, Peter R.
core   +2 more sources

Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2

open access: yesScientific Reports, 2018
Structure and thermodynamics of pure cubic ZrO2 and HfO2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 °C) to their melting points (2710 and 2800 °C).
Qi-Jun Hong   +6 more
doaj   +1 more source

Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals

open access: yesGreen Chemistry Letters and Reviews, 2023
Global reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants.
Mohamed A. Abdel-Rahman   +3 more
doaj   +1 more source

Sorption mechanism, hygroscopic agents, and application of passive water evaporative cooling technology—A review

open access: yesChemical Thermodynamics and Thermal Analysis
Passive water evaporative cooling technology (PWECT) is an efficient cooling technology that can provide unparalleled cooling capacities compared to other passive technologies.
Pei-Xia Qi   +4 more
doaj   +1 more source

Quantum Mechanical Investigations into Thermochemistry Properties and Electronic, Structural of Nanocrystals

open access: yesAl-Mustansiriyah Journal of Science, 2019
This paper presents quantum mechanical investigations that is into electronic and thermochemistry properties of Gallium phosphide. It also investigates diamondoids and nanocrystals using the density functional theory.
Huda M. Jawad
doaj   +1 more source

Theoretical studies in the molecular Platonic solids: Pure and mixed carbon, nitrogen, phosphorus, and silicon tetrahedranes [PDF]

open access: yes, 2011
Calculations were conducted at the G4MP2 and G4 composite method levels of theory on the 35 potential carbon, nitrogen, silicon, and phosphorus tetrahedrane derivatives with the general form C~a~N~b~Si~c~P~d~H~(4-b-d)~ (where a+b+c+d=4).
Kaya Forest, Sierra Rayne
core   +2 more sources

Development of Interactive Learning Media Using Google Sites for Thermochemistry Courses

open access: yesJTK (Jurnal Tadris Kimiya)
Interactive learning media is essential in enhancing student engagement and understanding, particularly in complex subjects like thermochemistry. Google Sites offers a platform to create accessible and interactive educational resources tailored to ...
Restika Pamungkasih   +5 more
doaj   +1 more source

Development of Students’ Conceptual Understanding through STEAM Project Integration in Thermochemistry

open access: yesJTK (Jurnal Tadris Kimiya), 2021
This study aims to develop students' conceptual understanding by integrating the Science, Technology, Engineering, Art, and Mathematics (STEAM) project in thermochemistry.
Yuli Rahmawati   +4 more
doaj   +1 more source

Pengaruh Model Daur Belajar 5 Fase terhadap Keterampilan Proses Sains Siswa pada Materi Termokimia

open access: yesJurnal Pendidikan: Teori, Penelitian, dan Pengembangan, 2020
: This study aims to determine the differences in the 5-Phase Learning Cycle model and the conventional learning model of students' science process skills on thermochemical materials. This type of research is quasi-experimental.
Wulan Ratia Ratulangi   +2 more
doaj   +1 more source

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