In this work,a detailed study of the structural and electronic properties of the energetic ionic salt hydroxylammonium 5-nitrotetrazolate-2N-oxide(HANTO)in the pressure range of 0-150 GPa was performe
Chemistry is a branch of physical science that studies the composition,structure,properties and change of matter.The chemical bond and reaction are core concepts of chemistry.The classifications of ch
Noncovalent intermolecular interaction plays a critical role in the field of chemistry and biology [1].In recent years,interest in new t ypes of π-hole [2] interaction has increased.For inorganic benz
The study of noncovalent interaction has a great development from the mostly widely studied hydrogen-bonding to the interactions involving halogen,chalcogen,and pnictogen elements.These interactions h
The bimolecular complexes between SX2(X = F,Cl,Br,I)and H2CO(H2CS)were studied.All the complexes contained the S···O or S···S chalcogen-chalcogen bonds.
As an efficient spectral measurement tool in the far-infrared region,terahertz time-domain spectroscopy(THz-TDS)has recently been in progress with advantages over other conventional techniques and wit
We investigated four PDI derivatives including two monomers(PDI_M1 and PDI_M2)and two dimers(PDI_D1 and PDI_D2)to study how alkyl chains substituted on the imide nitrogen influence molecular packing b
Combinatorial regulation of gene expression is widely used by eukaryotes.In this process,the DNA-binding specificity of transcription factors(TFs)is influenced by protein-protein interactions(PPIs).
The excited states of polyatomic systems are rather complex,and often exhibit metastable dynamical behaviors.Traditional analysis of reaction pathway often fail to sufficiently characterize excited st