papers
Publications (6)
physics.atm-clus2016
Electronic structure contribution to hydrogen bonding interaction of a water dimer
Zhiyuan Zhang, Wanrun Jiang, Bo Wang +1
physics.chem-ph2018
Electronic quantum effect on hydrogen bond geometry in water dimer
Danhui Li, Zhiyuan Zhang, Wanrun Jiang +3
cond-mat.mes-hall2017
The Synthesis and Electrical Transport of Ligand-Protected Au13 Clusters
Zhongxia Wei, Wanrun Jiang, Zhanbin Bai +3
cond-mat.mtrl-sci2016
The self-consistent charge density functional tight-binding (DFTB) theory study of carbon adatoms using tuned Hubbard U parameters
Jia Wang, Xing Dai, Wanrun Jiang +2
physics.atm-clus2017
Spin Polarization and Dispersion Effects in Emergence of Roaming Transition State for Nitrobenzene Isomerization
Zhiyuan Zhang, Wanrun Jiang, Bo Wang +2
physics.atm-clus2015
Covalent features in the hydrogen bond of a water dimer: molecular orbital analysis
Bo Wang, Wanrun Jiang, Xing Dai +3