Results 31 to 40 of about 11,630,444 (338)

Characteristics of Volatile Organic Compounds in the Pearl River Delta Region, China: Chemical Reactivity, Source, and Emission Regions

open access: yesAtmosphere, 2021
Volatile organic compounds (VOCs) are important precursors of photochemical ozone and secondary organic aerosol (SOA). Here, hourly variations of ambient VOCs were monitored with an online system at an urban site (Panyu, PY) in the Pearl River Delta ...
Weiqiang Yang   +10 more
doaj   +1 more source

Volume-based thermodynamics approach in the context of solid-state chemical reactivity analysis

open access: yes, 2023
Reactivity belongs to the objects of theoretical chemistry in the broadest sense, as it embodies both thermodynamic and kinetic factors. Volume-based thermodynamics (VBT) is a successful tool for the prediction of solid-state chemical reactivity of ...
von Szentpály, László, Kaya, Savaş
core   +1 more source

Digitizing Chemical Discovery with a Bayesian Explorer for Interpreting Reactivity Data [PDF]

open access: yes, 2022
Interpretating the outcome of chemistry experiments consistently is slow and often introduces unwanted hidden bias. This difficulty limits the scale of collectable data and often leads to exclusion of negative results, which severely limits progress in ...
Leroy, Cronin   +5 more
core   +2 more sources

Exploring the Chemical Reactivity, Molecular Docking, Molecular Dynamic Simulation and ADMET Properties of a Tetrahydrothienopyridine Derivative Using Computational Methods

open access: yesCrystals, 2023
This study investigates the crystal structure, physicochemical properties, and pharmacokinetic profile of Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (EAMT) as a potential therapeutic agent.
Ahmed H. Bakheit   +4 more
doaj   +1 more source

CHEMICAL REACTIVITY OF ALUMAZENE

open access: yesPhosphorus, Sulfur, and Silicon and the Related Elements, 2004
AbstractFor Abstract see ChemInform Abstract in Full Text.
Pinkas, J., Lobl, J., Roesky, H. W.
openaire   +2 more sources

Reactivity of Waterlogged Archeological Elm Wood with Organosilicon Compounds Applied as Wood Consolidants: 2D 1H–13C Solution-State NMR Studies

open access: yesMolecules, 2022
Some organosilicon compounds, including alkoxysilanes and siloxanes, proved effective in stabilizing the dimensions of waterlogged archaeological wood during drying, which is essential in the conservation process of ancient artifacts.
Magdalena Broda, Daniel J. Yelle
doaj   +1 more source

Experimental quantum chemistry and chemical reactivity (Chapter 17)

open access: yes, 2023
This chapter describes a framework for chemical bonding analysis called Experimental Quantum Chemistry (EQC). In EQC, energies of atoms and molecules are partitioning into terms that can be both quantum mechanically calculated and experimentally ...
Rahm, Martin, Rahm, Martin,
core   +1 more source

Modification of ground state chemical reactivity via light-matter coherence in infrared cavities [PDF]

open access: yes, 2023
Reaction-rate modifications for chemical processes have been reported due to strong coupling between reactant molecular vibrations and the cavity vacuum, however, no accepted mechanisms explain these observations.
Wonmi, Ahn   +4 more
core   +1 more source

DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety [PDF]

open access: yesJournal of the Serbian Chemical Society, 2014
In the present investigation, a series of coumarin-based compounds containing a chalcone moiety were studied for their in vitro and in silico properties.
Špirtović-Halilović Selma   +6 more
doaj   +1 more source

Chemical Reactivity in Microheterogeneous Media

open access: yesCompounds, 2022
Since the second half of the last century, the science of colloids has undergone a true revolution, from being little more than a collection of qualitative observations of the macroscopic behavior of some complex systems to becoming a discipline with substantial theoretical foundations [...]
Juan C. Mejuto, Antonio Cid-Samamed
openaire   +2 more sources

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