已发表成果:
WOK 论文 17 篇;中文核心 1 篇;
DFVB: A Density-Functional-Based Valence Bond Method
How Solvent Influences the Anomeric Effect: Roles of Hyperconjugative versus Steric Interactions on the Conformational Preference
VBEFP: A valence bond approach that incorporates effective fragment potential method
VBEFP/PCM: A QM/MM/PCM approach for valence-bond method and its application for the vertical excitations of formaldehyde and acetone in aqueous solution
Nonorthogonal orbital based n -body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference
XMVB 2.0: A new version of Xiamen Valence Bond program
Hamiltonian Matrix Correction Based Density Functional Valence Bond Method
Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation-pi Interactions
Explicit construction of diabatic state and its application to the direct evaluation of electronic coupling
lambda-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter
Novel implementation of seniority number truncated valence bond methods with applications to H22 chain
lambda-DFCAS: A Hybrid Density Functional Complete Active Space Self Consistent Field Method
Revealing the biradicaloid nature inherited in the derivatives of thieno[3,4-c][1,2,5]thiadiazole: a computational study
A Valence-Bond-Based Multiconfigurational Density Functional Theory: The lambda-DFVB Method Revisited
Metal-Ligand Bonds in Rare Earth Metal-Biphenyl Complexes
Implementation of molecular symmetry in valence bond calculation
Mechanism of photocatalyzed imine conversion: a relay process of sequential energy transfer, single electron transfer and proton transfer
基于完全活性空间自洽场的杂化多组态密度泛函方法λ-DFCAS(英文)
高等学校化学学报,0251-0790,2021-07-09.