Da‐Zhi Li

发表

A Density-Functional Study on the Adsorption of C2H Radical onto Small Silver Clusters

Shiguo Zhang, Qiu-Hong Xu, Da‐Zhi Li, 2015, Journal of Cluster Science.

Theoretical studies on how to tune the π‐hole pnicogen bonds by substitution and cooperative effects

Da‐Zhi Li, Lijuan Zhang, 2020 .

Appearance of V-encapsulated tetragonal prism motifs in VSi10- and VSi11- clusters.

U. Farooq, Hongguang Xu, Weijun Zheng, 2020, Physical chemistry chemical physics : PCCP.

Crystal structure of 1-ethyl-5-iodoindolin-2-one

Q. Fang, Da‐Zhi Li, Lei Wang, 2015, Acta crystallographica. Section E, Crystallographic communications.

On the nature of chemical bonding in the all-metal aromatic [Sb3Au3Sb3](3-) sandwich complex.

Hua‐Jin Zhai, Wen-Juan Tian, Da‐Zhi Li, 2016, Physical chemistry chemical physics : PCCP.

(C6H6Cr)n&B40 (n = 1–6): Exohedral Borospherene Complexes with Cage-like B40 as an Effective Ligand with Multiple Coordination Sites

Yan-Bo Wu, Si‐Dian Li, Haigang Lu, 2019, Journal of Cluster Science.

A Density Functional Investigation on C2Aun+ (n = 1, 3, 5) and C2Aun (n = 2, 4, 6): from Gold Terminals, Gold Bridges, to Gold Triangles

Si‐Dian Li, Da‐Zhi Li, 2011 .

Structures and bonding of B 4 O 5 and B 4 O 5 − clusters: Emergence of boroxol ring and competition between rhombic B 2 O 2 and hexagonal B 3 O 3 cores

Hua‐Jin Zhai, Da‐Zhi Li, Lijuan Zhang, 2019, International Journal of Quantum Chemistry.

A first-principles study on the B5O5 (+/0) and B5O5 (-) clusters: The boron oxide analogs of C6H5 (+/0) and CH3Cl.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2015, The Journal of chemical physics.

Planar Tricyclic B 8 O 8 and B 8 O 8 − Clusters : Boron Oxide Analogues of s ‐ Indacene C 12 H 8

Hua‐Jin Zhai, Peng-Fei Li, Wen-Juan Tian, 2018 .

A theoretical study on ethylenediamine catalyzed decarboxylation of oxaloacetic acid

Shiguo Zhang, Qiu-Hong Xu, Da‐Zhi Li, 2013 .

Ionization spectroscopies and theoretical calculations of cis and trans 3-fluoro-N-methylaniline-Arn(n=1,2) van der Waals clusters: Structures and binding energies.

Yikui Du, M. Cheng, Qihe Zhu, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Analysis of the structure and chemical bonding of C5H5ScB40: a density functional study

Qiu-Hong Xu, Da‐Zhi Li, Ling Pei, 2022, Chemical Physics.

Ternary B2X2H2 (X = O and S) rhombic clusters and their potential use as inorganic ligands in sandwich-type (B2X2H2)2Ni complexes.

Hua‐Jin Zhai, Si‐Dian Li, Da‐Zhi Li, 2015, Physical chemistry chemical physics : PCCP.

An insight into intramolecular blue-shifting C H⋯π hydrogen bonds in 1,3-hexadien-5-yne and its halogen-substituted derivatives

Da‐Zhi Li, Lijuan Zhang, 2019, Chemical Physics.

An Ab initio theoretical investigation on the geometrical and electronic structures of BAun−/0 (n = 1–4) clusters

Si‐Dian Li, Da‐Zhi Li, 2011 .

Bridging gold: B‐Au‐B three‐center‐two‐electron bonds in electron‐deficient B2Aun−/0 (n = 1, 3, 5) and mixed analogues

Si-Dian Li, Wen-Zhi Yao, Da-Zhi Li, 2011, J. Comput. Chem..

[Sb4Au4Sb4](2-): A designer all-metal aromatic sandwich.

Hua‐Jin Zhai, Zhong‐Ming Sun, Da‐Zhi Li, 2016, The Journal of chemical physics.

A theoretical investigation on the complexes of B3O3H3 with acetylene and its substituted derivatives

Da‐Zhi Li, Lijuan Zhang, 2019, Journal of Molecular Modeling.

Pentagonal five-center four-electron π bond in ternary B3N2H5 cluster: an extension of the concept of three-center four-electron ω bond.

Hua‐Jin Zhai, Da‐Zhi Li, Lijuan Zhang, 2017, Physical chemistry chemical physics : PCCP.

Planar B3S2H3(-) and B3S2H3 clusters with a five-membered B3S2 ring: boron-sulfur hydride analogues of cyclopentadiene.

Hua‐Jin Zhai, Da‐Zhi Li, Lijuan Zhang, 2016, Physical chemistry chemical physics : PCCP.

Vanadium Sandwich Complexes with Boroxine and Boronyl Boroxine Ligands

Jun‐jie Liu, Shiguo Zhang, Da‐Zhi Li, 2014 .

Perfectly planar boronyl boroxine D3h B6O6: a boron oxide analog of boroxine and benzene.

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2013, The Journal of chemical physics.

[(B3O3H3)nM]+(n = 1, 2;M = Cu, Ag, Au): a new class of metal-cation complexes

Shiguo Zhang, Da‐Zhi Li, Chenchu Dong, 2013, Journal of Molecular Modeling.

Theoretical insights into the hydrogen bonding interaction in the complexation of epinephrine with uracil

Da‐Zhi Li, Lijuan Zhang, Ling Pei, 2019, Journal of Molecular Modeling.

B2(BO)60/- and B2(BS) 60/- doubly bridged structures containing BO or BS as ligands

Si‐Dian Li, Da‐Zhi Li, 2014, Journal of Molecular Modeling.

The Stability of the Micelle Formed by Chain Branch Surfactants and Polymer Under Salt and Shear Force: Insight from Dissipative Particle Dynamics Simulation

Fang Wang, Da‐Zhi Li, Lijuan Zhang, 2016 .

Double-chain planar D2h B4H2, C2h B8H2, and C2h B12H2: conjugated aromatic borenes.

Yan-Bo Wu, Si‐Dian Li, Qiang Chen, 2012, Physical chemistry chemical physics : PCCP.

Planar π-aromatic C3h B6H3+ and π-antiaromatic C2h B8H2: boron hydride analogues of D3h C3H3+ and D2h C4H4

Si‐Dian Li, Haigang Lu, Da‐Zhi Li, 2012, Journal of Molecular Modeling.

On the nature of bonding in binary Be2O2 and Si2O2 clusters: rhombic four-center four-electron π and σ bonds.

Hua‐Jin Zhai, Kang Wang, Da‐Zhi Li, 2016, Physical chemistry chemical physics : PCCP.

Binary B4S4 Rhombic Clusters as Promising Inorganic Ligands for Triple‐Decker Sandwich Complexes

Shiguo Zhang, Da‐Zhi Li, Chenchu Dong, 2016 .

Planar dicyclic B6S6, B6S6(-), and B6S6(2-) clusters: boron sulfide analogues of naphthalene.

Hua‐Jin Zhai, Hui Bai, Si‐Dian Li, 2015, The Journal of chemical physics.

Structure and Chemical Bonding of the B3Sn0/− (n = 2–4) Boron Sulfide Clusters: A Density Functional Theory Investigation

Xiaodong Zheng, Da‐Zhi Li, Chenchu Dong, 2016, Journal of Cluster Science.

Theoretical Investigation on the Interaction of C2H Radical with Small Gold Clusters Aun0/− (n = 1–4)

Shiguo Zhang, Qiu-Hong Xu, Da‐Zhi Li, 2012, Journal of Cluster Science.

Double-chain planar D 2 h B 4 H 2 , C 2 h B 8 H 2 , and C 2 h B 12 H 2 : conjugated aromatic borenes w

Yan-Bo Wu, Si‐Dian Li, Qiang Chen, 2014 .

Concentric dual π aromaticity in bowl-like B30 cluster: an all-boron analogue of corannulene.

Hua‐Jin Zhai, Kang Wang, Da‐Zhi Li, 2016, Physical chemistry chemical physics : PCCP.

Structural Evolution and Electronic Properties of V2Sin-/0 (n = 7-14) Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations.

Hongguang Xu, Weijun Zheng, Bin Yang, 2023, Inorganic chemistry.

A first-principles study on the B5O5 (+/0) and B5O5 (-) clusters: The boron oxide analogs of C6H5 (+/0) and CH3Cl.

Hua‐Jin Zhai, Si‐Dian Li, Qiang Chen, 2015, The Journal of chemical physics.