Biomedical subjects

Guo-Zhong He

Publications and source records attributed to Guo-Zhong He.

2 recordsLinked to original sources

PubMed2005

Correlation quantum dynamics between an electron and D+2 molecule with attosecond resolution.

Recently, Niikura et al. [Nature (London) 421, 826 (2003)] have applied the entanglement approach to exploit the correlation between the electronic and nuclear wave packets. Here, we use the time-dependent-wave-packet method to calculate the kinetic energy distribution of the D+ ion resulting from the recollision between an electron and its parent ion D+2(X2Sigma+g) within the attoseconds time scale. Our theoretical results of the D+ ion kinetic energy spectra accord well with the experimental ones, and the recollision probabilities between the electron and the D+2 molecule have been calculated.

Journal Article↗

PubMed2003

Density functional study on the mechanism of bicyclic guanidine-catalyzed Strecker reaction.

As a direct and viable synthesis of amino acids, the small organic molecule catalyzed asymmetric Strecker reactions have been explored successfully in recent years. For these catalysts, the active sites may be a guanidine group or similarly a urea group. In an effort to elucidate the reaction mechanism, we have investigated the bicyclic guanidine-catalyzed Strecker reaction of HCN and methanimine using density functional theory with the B3LYP method. Assisted by guanidine, two competitive pathways to aminoacetonitrile were rationalized. The aminoisoacetonitrile may not form due to the instability of the product.

Aminoacetonitrile↗