期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (23)
Transition metal-catalyzed three-component reactions of arenes, dienes, and carbonyls enable the convergent synthesis of homoallylic alcohols. Control......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (27)
We present a [Au-7(SR)(7)] ring as a new type of protection ligand in a new atomic structure of Au-15(SR)(13) nanocluster for the first time based on ......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (12)
We report an ion velocity imaging study of the charge exchange reactions between Ar+ ion and trans-/cis-dichloroethylene in the collision energy range......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (12)
For solving the "coordinate problem" in a product state-resolved calculation with the quantum wave packet method, an interaction-asymptotic region dec......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (12)
Since the interaction between electrons and atomic nuclei can affect the electronic structure, in recent years, first-principles-based electron-phonon......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (14)
We studied the thermal decomposition of dimethyl carbonate (DMC, C3H6O3) in a flash vacuum pyrolysis reactor in the 1100-1700 K range. The reaction pr......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (24)
We present a composite procedure based on explicitly correlated CCSD(T)-F12 calculations for accurate energetic predictions for carbon chain P molecul......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (19)
Recent research has shown the almost barrierless cycloaddition reaction of the carboxylic acid with one SO3 to form products with group of -OSO3H, whi......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (19)
Since the discovery of metal-doped boron clusters attracted great significance to create a new class of materials, research interests have been direct......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (11)
Allylic alcohols, as common and readily available building blocks, could be converted into many widely used carbonyl compounds through isomerization r......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (16)
Via combined ab initio and DFT calculations, 16 [Mg-2(OCN)(5)](-1) and [Mg-2(SCN)(5)](-1) isomers are studied to explore their potentials as superhalo......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (21)
A quantitative study on inelastic electron scattering with a molecule is of significant importance for understanding the essential mechanisms of elect......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (21)
The strong relativistic effects result in many interesting chemical and physical properties for gold and gold compounds. One of the most surprising fi......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (17)
Matrix isolation infrared spectroscopy has been employed to study the reaction of laser-ablated boron atoms with hydrogen selenide in a 5 K solid argo......
期刊： JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (11)
The triplet-triplet annihilation (TTA) effect of sensitizers themselves can lead to the additional quenching of lifetimes of triplet states; therefore......
