Daiqian Xie

Publication Activity (10 Years)

Years Active: 2003-2019
Publications (10 Years): 1

Top Topics

Fault Diagnosis

Dynamic Response

Artificial Neural Networks

Top Venues

J. Comput. Chem.

Publications

Dongzheng Yang, Xixi Hu, Daiqian Xie
Quantum dynamics of vibration-vibration energy transfer for vibrationally excited HF colliding with H2. J. Comput. Chem. 40 (10) (2019)
Sen Lin, Daiqian Xie
A″) electronic states of HSiCl and the absorption and emission spectra of HSiCl/DSiCl. J. Comput. Chem. 32 (8) (2011)
Xuemei Wang, Shanshan Wu, Dingguo Xu, Daiqian Xie, Hua Guo
Inhibitor and Substrate Binding by Angiotensin-Converting Enzyme: Quantum Mechanical/Molecular Mechanical Molecular Dynamics Studies. J. Chem. Inf. Model. 51 (5) (2011)
Hua Zhu, Daiqian Xie
-hydrogen clusters: Structures and energetics. J. Comput. Chem. 30 (6) (2009)
Yong Wu, Lu Jin, Ying Xue, Daiqian Xie, Chan Kyung Kim, Yong Guo, Guosen Yan
-dimethyl-N'-(2-oxo-1, 2-dihydro-pyrimidinyl)formamidine: Water-assisted mechanism and cluster-continuum model. J. Comput. Chem. 29 (8) (2008)
Yuanqiang Zhu, Yong Guo, Lidong Zhang, Daiqian Xie
A computational investigation on the sequential rearrangement mechanism of 2-allyl-2, 4, 5-hexatrienaldehyde involving [1, 5]-hydrogen migration and 8pi-electrocyclization. J. Comput. Chem. 28 (13) (2007)
Hua Zhu, Yong Guo, Ying Xue, Daiqian Xie
Ab initio potential energy surface and predicted microwave spectra for ArOCS dimer and structures of ArnOCS (n = 2-14) clusters. J. Comput. Chem. 27 (9) (2006)
Ying Xue, Chan Kyung Kim, Yong Guo, Daiqian Xie, Guosen Yan
DFT study and Monte Carlo simulation on proton transfers of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water. J. Comput. Chem. 26 (10) (2005)
Daiqian Xie, Jun Zeng
Electronic excitations of green fluorescent proteins: Protonation states of chromophore model compound in solutions. J. Comput. Chem. 26 (14) (2005)
Jun Zeng, Daiqian Xie
Hydrogen bonding and solvent effects on the lowest 1(n, *) excitations of triazines in water. J. Comput. Chem. 25 (6) (2004)
Daiqian Xie, Jun Zeng
Hydrogen bonding and solvatochromatic shift of the lowest 1(n, *) excitation of s-tetrazine in its hydrated clusters and dilute solutions. J. Comput. Chem. 25 (12) (2004)
Weizhong Yan, Ying Xue, Hua Zhu, Jun Zeng, Daiqian Xie
A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2, 3-dihydroxypyridine. J. Comput. Chem. 25 (15) (2004)
Hua Zhu, Daiqian Xie, Guosen Yan
Theoretical studies for structures and energetics of RgnN2O (RgHe, Ne, Ar) clusters. J. Comput. Chem. 24 (15) (2003)
Yong Wu, Daiqian Xie, Ying Xue
Ab initio studies for the photodissociation mechanism of hydroxyacetone. J. Comput. Chem. 24 (8) (2003)