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Modeling the kinetics of bimolecular reactions
This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …
Flexible photoelectronic material device and investigation method for space applications
M Qian, Y Zhang, X Mao, Y Gao, X Xuan, M Wu… - Progress in Aerospace …, 2023 - Elsevier
Flexibility and lightweight are promising research topics for space science and technology,
which benefit to reduce load, reduce volume, and integrate device. However, most …
which benefit to reduce load, reduce volume, and integrate device. However, most …
Air–carbon ablation model for hypersonic flight from molecular-beam data
Recent molecular-beam experiments of high-velocity atomic oxygen (O), atomic nitrogen
(N), and molecular oxygen (O 2) impacting carbon material at high temperature produced …
(N), and molecular oxygen (O 2) impacting carbon material at high temperature produced …
Direct chemical dynamics simulations
In a direct dynamics simulation, the technologies of chemical dynamics and electronic
structure theory are coupled so that the potential energy, gradient, and Hessian required …
structure theory are coupled so that the potential energy, gradient, and Hessian required …
Atomic oxygen effects on POSS polyimides in low earth orbit
Kapton polyimde is extensively used in solar arrays, spacecraft thermal blankets, and space
inflatable structures. Upon exposure to atomic oxygen in low Earth orbit (LEO), Kapton is …
inflatable structures. Upon exposure to atomic oxygen in low Earth orbit (LEO), Kapton is …
Finite-rate oxidation model for carbon surfaces from molecular beam experiments
An oxidation model for carbon surfaces has been developed where the gas–surface
reaction mechanisms and corresponding rate parameters are based solely on observations …
reaction mechanisms and corresponding rate parameters are based solely on observations …
Adiabatic trajectory approximation: a new general method in the toolbox of mixed quantum/classical theory for collisional energy transfer
A new version of the MQCT program is presented, which includes an important addition,
adiabatic trajectory approximation (AT-MQCT), in which the equations of motion for the …
adiabatic trajectory approximation (AT-MQCT), in which the equations of motion for the …
Molecular simulation of carbon ablation using beam experiments and resolved microstructure
Molecular simulations with a resolved surface microstructure were performed for high-
temperature dissociated oxygen reacting with a carbon–carbon composite material. The …
temperature dissociated oxygen reacting with a carbon–carbon composite material. The …
Quantum State-Resolved Energy Transfer Dynamics at Gas−Liquid Interfaces: IR Laser Studies of CO2 Scattering from Perfluorinated Liquids
An apparatus for detailed study of quantum state-resolved inelastic energy transfer
dynamics at the gas− liquid interface is described. The approach relies on supersonic jet …
dynamics at the gas− liquid interface is described. The approach relies on supersonic jet …
Atomic and molecular collisions at liquid surfaces
The gas–liquid interface remains one of the least explored, but nevertheless most practically
important, environments in which molecular collisions take place. These molecular-level …
important, environments in which molecular collisions take place. These molecular-level …