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Qianer Zhang - Publications

Affiliations: 
Xiamen University, P.R.C 
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2007 Wang X, Cao Z, Lu X, Lin M, Zhang Q. 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. PMID 16122316 DOI: 10.1063/1.1999634  0.476
2005 Song L, Liu M, Wu W, Zhang Q, Mo Y. Origins of Rotational Barriers in Hydrogen Peroxide and Hydrazine. Journal of Chemical Theory and Computation. 1: 394-402. PMID 26641506 DOI: 10.1021/Ct049843X  0.399
2005 Song L, Lin Y, Wu W, Zhang Q, Mo Y. Steric strain versus hyperconjugative stabilization in ethane congeners. The Journal of Physical Chemistry. A. 109: 2310-6. PMID 16839001 DOI: 10.1021/Jp044700S  0.368
2005 Cao Z, Zhang Q. Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes. Journal of Computational Chemistry. 26: 1214-21. PMID 15957180 DOI: 10.1002/jcc.20258  0.361
2005 Song L, Mo Y, Zhang Q, Wu W. XMVB: a program for ab initio nonorthogonal valence bond computations. Journal of Computational Chemistry. 26: 514-21. PMID 15704237 DOI: 10.1002/Jcc.20187  0.497
2004 Chen M, Liu J, Dang L, Zhang Q, Au CT. A density functional study on nitrogen-doped carbon clusters CnN3- (n=1-8). The Journal of Chemical Physics. 121: 11661-7. PMID 15634132 DOI: 10.1063/1.1814933  0.311
2004 Mo Y, Wu W, Song L, Lin M, Zhang Q, Gao J. The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory. Angewandte Chemie (International Ed. in English). 43: 1986-90. PMID 15065281 DOI: 10.1002/Anie.200352931  0.47
2004 Song L, Wu W, Zhang Q, Shaik S. A practical valence bond method: a configuration interaction method approach with perturbation theoretic facility. Journal of Computational Chemistry. 25: 472-8. PMID 14735567 DOI: 10.1002/Jcc.10382  0.535
2004 Lu X, Tian F, Xu X, Wang N, Zhang Q. 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. PMID 12926971 DOI: 10.1021/JA034662A  0.329
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