Qianer Zhang
Affiliations: | Xiamen University, P.R.C |
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Publications
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| Wang X, Cao Z, Lu X, et al. (2007) Structure and stability of binary transition-metal clusters (NbCo)n (n < or = 5): a relativistic density-functional study. The Journal of Chemical Physics. 123: 64315 |
| Song L, Liu M, Wu W, et al. (2005) Origins of Rotational Barriers in Hydrogen Peroxide and Hydrazine. Journal of Chemical Theory and Computation. 1: 394-402 |
| Song L, Lin Y, Wu W, et al. (2005) Steric strain versus hyperconjugative stabilization in ethane congeners. The Journal of Physical Chemistry. A. 109: 2310-6 |
| Cao Z, Zhang Q. (2005) Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes. Journal of Computational Chemistry. 26: 1214-21 |
| Song L, Mo Y, Zhang Q, et al. (2005) XMVB: a program for ab initio nonorthogonal valence bond computations. Journal of Computational Chemistry. 26: 514-21 |
| Chen M, Liu J, Dang L, et al. (2004) A density functional study on nitrogen-doped carbon clusters CnN3- (n=1-8). The Journal of Chemical Physics. 121: 11661-7 |
| Mo Y, Wu W, Song L, et al. (2004) The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory. Angewandte Chemie (International Ed. in English). 43: 1986-90 |
| Song L, Wu W, Zhang Q, et al. (2004) A practical valence bond method: a configuration interaction method approach with perturbation theoretic facility. Journal of Computational Chemistry. 25: 472-8 |
| Lu X, Tian F, Xu X, et al. (2004) A theoretical exploration of the 1,3-dipolar cycloadditions onto the sidewalls of (n,n) armchair single-wall carbon nanotubes. Journal of the American Chemical Society. 125: 10459-64 |