Daiqian Xie

16 papers Journal 16
YearRankTypeTitle / Venue / Authors
2025 J jnl
Cartesian-nj: Extending e3nn to Irreducible Cartesian Tensor Product and Contracion.
CoRR
Zemin Xu, Chenyu Wu, Wenbo Xie, Daiqian Xie, P. Hu
2025 J jnl
Towards universal property prediction in Cartesian space: TACE is all you need.
CoRR
Zemin Xu, Wenbo Xie, Daiqian Xie, P. Hu
2019 J jnl
Quantum dynamics of vibration-vibration energy transfer for vibrationally excited HF colliding with H2.
J. Comput. Chem.
Dongzheng Yang, Xixi Hu, Daiqian Xie
2011 J jnl
Inhibitor and Substrate Binding by Angiotensin-Converting Enzyme: Quantum Mechanical/Molecular Mechanical Molecular Dynamics Studies.
J. Chem. Inf. Model.
Xuemei Wang, Shanshan Wu, Dingguo Xu, Daiqian Xie, Hua Guo
2011 J jnl
New
J. Comput. Chem.
Sen Lin, Daiqian Xie
2009 J jnl
N
J. Comput. Chem.
Hua Zhu, Daiqian Xie
2008 J jnl
Theoretical study on the hydrolysis mechanism of
J. Comput. Chem.
Yong Wu, Lu Jin, Ying Xue, Daiqian Xie, Chan Kyung Kim, Yong Guo, Guosen Yan
2007 J jnl
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.
Yuanqiang Zhu, Yong Guo, Lidong Zhang, Daiqian Xie
2006 J jnl
Ab initio potential energy surface and predicted microwave spectra for ArOCS dimer and structures of ArnOCS (n = 2-14) clusters.
J. Comput. Chem.
Hua Zhu, Yong Guo, Ying Xue, Daiqian Xie
2005 J jnl
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.
Ying Xue, Chan Kyung Kim, Yong Guo, Daiqian Xie, Guosen Yan
2005 J jnl
Electronic excitations of green fluorescent proteins: Protonation states of chromophore model compound in solutions.
J. Comput. Chem.
Daiqian Xie, Jun Zeng
2004 J jnl
A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2, 3-dihydroxypyridine.
J. Comput. Chem.
Weizhong Yan, Ying Xue, Hua Zhu, Jun Zeng, Daiqian Xie
2004 J jnl
Hydrogen bonding and solvatochromatic shift of the lowest 1(n, *) excitation of s-tetrazine in its hydrated clusters and dilute solutions.
J. Comput. Chem.
Daiqian Xie, Jun Zeng
2004 J jnl
Hydrogen bonding and solvent effects on the lowest 1(n, *) excitations of triazines in water.
J. Comput. Chem.
Jun Zeng, Daiqian Xie
2003 J jnl
Ab initio studies for the photodissociation mechanism of hydroxyacetone.
J. Comput. Chem.
Yong Wu, Daiqian Xie, Ying Xue
2003 J jnl
Theoretical studies for structures and energetics of RgnN2O (RgHe, Ne, Ar) clusters.
J. Comput. Chem.
Hua Zhu, Daiqian Xie, Guosen Yan