Inverse sandwich-type dinuclear transition metal complexes(ISTCs)draw great interests in coordination chemistry organometallic chemistry,and physical chemistry because of their characteristic geometri
Atmospheric aerosol particles are among the most interesting and challenging research topics in physics and chemistry for several reasons.Depending on their composition,they may have adverse health ef
The molecular aggregation structure of three D-A cocrystal complexes based on substituted distyrylbenzenes(DSB) was studied by density functional theory calculation.
Growing evidences indicate a critical role of mechanical tensile in chemical reactions,such as isomerization and bond cleavage,which is useful for understanding the strength of a chemical bond and can
An externally corrected CCSDt(coupled cluster with singles,doubles and active triples) approach employing four-and five-body clusters from the complete active space selfconsistent field(CASSCF) wave f
An integration approach is developed to calculate ionization potentials(IPs),and electron affinities(EAs),which is an extension of the D-ΔMBPT(2) method [1].
The aggregation-induced emission(AIE) effect was found by Tangs group in 2001[1],which extends the application scope of luminescent aggregation processmaterials.
Intermolecular interaction energies provide important insight into chemical systems by allowing us to study the relationship between predicted energies and the physical and chemical properties observe