Wenzuo Li

发表

Triel-hydride triel bond between ZX3 (Z = B and Al; X = H and Me) and THMe3 (T = Si, Ge and Sn): Triel-hydride triel bond

Qingzhong Li, Jian-Bo Cheng, Jingru Zhang, 2018 .

Modulating the strength of tetrel bonding through beryllium bonding

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2016, Journal of Molecular Modeling.

Is there an attractive interaction between two methyl groups

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2014 .

A σ-hole interaction with radical species as electron donors: does single-electron tetrel bonding exist?

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2014, Physical chemistry chemical physics : PCCP.

Some measures for making a traditional halogen bond be chlorine-shared or ion-pair one in FCl•NH3 complex

Qingzhong Li, Jian-Bo Cheng, Hui-Li Xu, 2016 .

Mutual influence between covalent and noncovalent interactions in H3N–MCN–XF (X = H, Li, Cl, Br; M = Ag, Cu, Au)

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2014 .

Halogen bonds with N-heterocyclic carbenes as halogen acceptors: a partially covalent character

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2014 .

Influence of cooperativity on the frequency shift of the Ar–H stretch vibration in HArF complexes

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013 .

Competition between hydrogen bond and σ-hole interaction in SCS-HArF and SeCSe-HArF complexes

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2012 .

Superalkali Li3M (M = Cl, Br, I) as a Lewis base in halogen bonding: A heavier halogen is a stronger Lewis base than a lighter halogen

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013 .

Structures, properties and nature of DMSO-XY (XY=ClF and BrF) complexes: redshift and blueshift of S=O stretch.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Competitive interaction between halogen and hydrogen bonds in NH2Br‐HOX (X = F, Cl, and Br) complex

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012 .

S···X halogen bonds and H···X hydrogen bonds in H2CS-XY (XY = FF, ClF, ClCl, BrF, BrCl, and BrBr) complexes: cooperativity and solvent effect.

Zhongjun Zhou, Qingzhong Li, Jian-Bo Cheng, 2012, The Journal of chemical physics.

Effect of superalkali substituents on the strengths and properties of hydrogen and halogen bonds

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013, Journal of Molecular Modeling.

Symmetry-adapted perturbation theory interaction energy decomposition for H2CY-XF (Y = O, S, Se; X = H, Li, Cl) complex

Qingfu Ban, Qingzhong Li, Jian-Bo Cheng, 2012 .

The structure, properties, and nature of C–Br⋯F halogen bond involving HArF: Substitution, hybridization, and nonadditivity

Qingzhong Li, Jian-Bo Cheng, Shuo Jiang, 2012 .

Novel formation of silicon–germanium bond: Insertion reactions of H2SiLiF with GeH3X (X = F, Cl, Br)

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2014 .

Ab initio study of synergetic effects of two strong interactions of cation–π interaction and lithium bond in M+ ··· phenyl lithium ··· N (M = Li, Na, K; N = H2O and NH3) complex

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012 .

Concerted interaction between pnicogen and halogen bonds in XCl-FH2P-NH3 (X=F, OH, CN, NC, and FCC).

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Cooperative effects between π-hole triel and π-hole chalcogen bonds

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2018, RSC advances.

Influence of the protonation of pyridine nitrogen on pnicogen bonding: competition and cooperativity.

Qingzhong Li, Jian-Bo Cheng, Yuanxin Wei, 2016, Physical chemistry chemical physics : PCCP.

The aerogen–π bonds involving π systems

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2016 .

Theoretical study of the cooperative effects between the triel bond and the pnicogen bond in BF3···NCXH2···Y (X = P, As, Sb; Y = H2O, NH3) complexes

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2015, Journal of Molecular Modeling.

The dual role of pnicogen as Lewis acid and base and the unexpected interplay between the pnicogen bond and coordination interaction in H3N⋯FH2X⋯MCN (X = P and As; M = Cu, Ag, and Au)

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2015 .

Cooperative and diminutive effects of pnicogen bonds and cation-π interactions.

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

Competition of hydrogen, halogen, and pnicogen bonds in the complexes of HArF with XH2P (X=F, Cl, and Br).

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Pnicogen-hydride interaction between FH2X (X = P and As) and HM (M = ZnH, BeH, MgH, Li, and Na).

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012, The journal of physical chemistry. A.

Some measures for mediating the strengths of halogen bonds with the B–B bond in diborane(4) as an unconventional halogen acceptor

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2014 .

Prediction and characterization of a chalcogen-hydride interaction with metal hybrids as an electron donor in F2CS-HM and F2CSe-HM (M = Li, Na, BeH, MgH, MgCH3) complexes.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012, Physical chemistry chemical physics : PCCP.

Cooperative and substitution effects in enhancing strengths of halogen bonds in FCl···CNX complexes.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012, The Journal of chemical physics.

The 1 (2)A(1), 1 (2)B(2), and 1 (2)A(2) states of the SO(2) (+) ion studied using multiconfiguration second-order perturbation theory.

M. Huang, Wenzuo Li, Bo‐Zhen Chen, 2004, The Journal of chemical physics.

Influence of F and Se substitution on the structures, stabilities and nature of the complexes between F2CSe and HOX (X = F, Cl, Br, and I)

Qingzhong Li, Jian-Bo Cheng, Xin Yang, 2015 .

Effect of methyl group on the cooperativity between cation–π interaction and NH···O hydrogen bonding

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2008 .

Comparison for σ-hole and π-hole tetrel-bonded complexes involving F2CCFTF3 (TC, Si, and Ge): Substitution, hybridization, and solvation effects

Qingzhong Li, Jian-Bo Cheng, Wenbo Dong, 2018 .

Is a MH (M = Be and Mg) radical a better electron donor in halogen‐hydride interaction?: A theoretical comparison with HMH

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013 .

Competition between dihydrogen bond and beryllium bond in complexes between HBeH and HArF: a huge blue shift of distant H-Ar stretch.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A new interaction mechanism of LiNH2 with MgH2: magnesium bond

Qingzhong Li, Jian-Bo Cheng, Xin Yang, 2012, Journal of Molecular Modeling.

Prediction and characterization of HCCH···AuX (X = OH, F, Cl, Br, CH3, CCH, CN, and NC) complexes: a π Au-bond.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2011, The Journal of chemical physics.

Theoretical study of lithium bond between XMgH (X = H, F, CH3) and LiCY3 (Y = H, F)

Jungang Yin, Qingzhong Li, Jian-Bo Cheng, 2009 .

Cooperativity between two types of hydrogen bond in H(3)C-HCN-HCN and H(3)C-HNC-HNC complexes.

F. Luan, Qingzhong Li, Jian-Bo Cheng, 2008, The Journal of chemical physics.

Cooperative effects between triel and halogen bonds in complexes of pyridine derivatives: An opposite effect of the nitrogen oxidation on triel and halogen bonds

Qingzhong Li, Wenzuo Li, B. Xiao, 2021 .

Prominent enhancing effects of substituents on the strength of π···σ‐hole tetrel bond

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2017 .

Prediction and characterization of halogen bonds involving formamidine and its derivatives.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Influence of the nature of hydrogen halides and metal cations on the interaction types between borazine and hydrogen halides

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2014, Journal of Molecular Modeling.

Enhancement of iodine-hydride interaction by substitution and cooperative effects in NCX-NCI-HMY complexes.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Hydrogen bond and σ-hole interaction in M2C=S···HCN (M = H, F, Cl, Br, HO, H3C, H2N) complex: Dual roles of C=S group and substitution effect

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2012 .

Influence of insertion of a noble gas atom on halogen bonding in H2O···XCCNgF and H3N···XCCNgF (X = Cl and Br; Ng = Ar, Kr, and Xe) complexes

Wen-Ming Liu, Qingzhong Li, Jian-Bo Cheng, 2013, Structural Chemistry.

The prominent enhancing effect of the cation-π interaction on the halogen-hydride halogen bond in M1⋅⋅⋅C6H5X⋅⋅⋅HM2.

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Some measures for making halogen bonds stronger than hydrogen bonds in H2CS-HOX (X = F, Cl, and Br) complexes.

F. Luan, Qingzhong Li, Jian-Bo Cheng, 2011, Physical chemistry chemical physics : PCCP.

Comparison of σ-Hole and π-Hole Tetrel Bonds Formed by Pyrazine and 1,4-Dicyanobenzene: The Interplay between Anion-π and Tetrel Bonds.

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

Non-additivity between substitution and cooperative effects in enhancing hydrogen bonds.

Qingzhong Li, Jian-Bo Cheng, Hongying Zhuo, 2014, The Journal of chemical physics.

Competition and cooperativity between hydrogen bond and halogen bond in HNC⋯(HOBr)n and (HNC)n⋯HOBr (n = 1 and 2) systems

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2011 .

Large blue shift of the H-Ar stretching frequency in hydrogen- and halogen-bonded complexes of HArF with dihalogen molecules.

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Rare gas atomic number dependence of the halogen bond in HRgF–XCCF (Rg = He, Ar, Kr; X = Cl, Br) complex

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2011 .

Theoretical study of halogen–hydride halogen bonds in F3CL ··· HM (L=Cl, Br; M=Li, BeH, MgH) complexes

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2010 .

Tetrel-hydride interaction between XH₃F (X = C, Si, Ge, Sn) and HM (M = Li, Na, BeH, MgH).

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2015, Journal of Physical Chemistry A.

Nonlinear optical properties of aluminum nitride nanotubes doped by excess electron: a first principle study

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2018, Journal of Molecular Modeling.

Synergistic and diminutive effects between triel bond and regium bond: Attractive interactions between π-hole and σ-hole

Shufeng Liu, Qingzhong Li, Jian-Bo Cheng, 2019, Applied Organometallic Chemistry.

Carbene tetrel-bonded complexes

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2017, Structural Chemistry.

Tetrel bond of pseudohalide anions with XH3F (X = C, Si, Ge, and Sn) and its role in SN2 reaction.

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2016, The Journal of chemical physics.

Hydrogen bonding involved with superhalogen MX2NY: its influence on the structure and stability of the superhalogen

Kang Yang, Qingzhong Li, Jian-Bo Cheng, 2014 .

Mediated effect of substitutes on the strength of both types of hydrogen bonds formed between HNgF (Ng = He, Ar, Kr) and HCCX (X = H, F, Cl, Br, I, At, and CH3)

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012 .

Hetero-Functional Polymers with Alternating Hydroxyl and Epoxy Groups Synthesized by Thiol-yne Click (co)Polymerization

Yaochen Zheng, Zhengguo Gao, Wenzuo Li, 2018, Macromolecular Chemistry and Physics.

Ab initio study of the cooperativity between NH···N and NH···C hydrogen bonds in H3N–HNC–HNC complex

Qingchuan Zheng, Qingzhong Li, Jian-Bo Cheng, 2010 .

Beryllium decorated armchair BC2N nanoribbons: coexistence of planar tetracoordinate carbon and nitrogen moieties

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2015 .

Structure and magnetic properties of open-ended silicon carbide nanotubes

Yan-Chun Li, Qingzhong Li, Jian-Bo Cheng, 2015 .

CH4 activation by PtX+ (X = F, Cl, Br, I)

Shaoli Liu, Qingzhong Li, Jian-Bo Cheng, 2022, Frontiers in Chemistry.

Theoretical prediction on HAlS+ and HSAl+ cations using multiconfiguration second-order perturbation theory

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2012 .

Theoretical study on the interlay of hydrogen bonds in the trimers involving HCN and water

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2009 .

The structure, properties, and nature of HArF-benzene complex: redshift and blueshift of Ar-H stretch frequency and rare gas atomic number dependence of hydrogen bonds.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical study of the interplay between lithium bond and hydrogen bond in complexes involved with HLi and HCN.

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Comparative study on the nonadditivity of methyl group in lithium bonding and hydrogen bonding

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2009 .

Influence of substituents on the nature of metal⋯π interaction and its cooperativity with halogen bond.

Qingzhong Li, Jian-Bo Cheng, Xin Yang, 2015, The Journal of chemical physics.

Cooperativity between the halogen bond and the hydrogen bond in H3N...XY...HF complexes (X, Y=F, Cl, Br).

Qingquan Lin, Qingzhong Li, Jian-Bo Cheng, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

A Spiro-Ge-Heterocyclic Compound Formation via Germylenoid and Formaldehyde: A Theoretical Study

Wenzuo Li, Bingfei Yan, Xiao-Lin Zhang, 2020, Russian Journal of Physical Chemistry A.

The insertion and H2 elimination reactions of H2GeFMgF germylenoid with RH (R = Cl, SH, PH2)

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2017, Russian Journal of Physical Chemistry A.

Theoretical prediction on the addition reaction of germylenoid H2GeFMgF with ethylene

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2016 .

Theoretical prediction on the insertion reactions of the germylenoid H2GeLiF with GeH3X (X = F, Cl, Br)

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2015, Russian Journal of Physical Chemistry A.

Theoretical prediction on H2 elimination reactions of H2GeLiF with RH (R = Cl, SH, and PH2)

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2015, Russian Journal of Physical Chemistry A.

Substitution reactions of H2GeFBeF with RH (R = F, OH, NH2): A theoretical study

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2014, Russian Journal of Physical Chemistry A.

THEORETICAL INVESTIGATION ON THE INSERTION REACTIONS OF THE GERMYLENOID H2GeLiF WITH RH (R = Cl, SH, PH2)

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013 .

The insertion reactions of the germylenoid H2GeLiF with CH3X (X = F, Cl, Br)

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013 .

Theoretical investigation on H2 elimination reactions of germylenoid H2GeLiF with RH (R = F, OH, and NH2)

T. Liu, Qingzhong Li, Jian-Bo Cheng, 2010 .

The 12A″, 12A′, and 22A′ electronic states of the H2S+ ion studied using multiconfiguration second-order perturbation theory

M. Huang, Wenzuo Li, Ming-Bao Huang, 2005 .

Electronic states of the CS2+ ion studied using multiconfiguration second-order perturbation theory

M. Huang, Wenzuo Li, Ming-Bao Huang, 2004 .

Theoretical study on the π hydrogen-bonded complex between HArF and ethylene

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2009 .

Substitution effect of superhalogens in MX3MCN-YF and MX3MCCY-NH3 complexes: Comparison with XMCN-YF and XMCCY-NH3

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2013 .

Partially covalent nature and substitution non-additivity of Au-bonding in H2O–AuCH3 complex

F. Luan, Qingzhong Li, Jian-Bo Cheng, 2010 .

Theoretical study of halogen bonding between FnH3−nCBr (n = 0, 1, 2, 3) and HMgH

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2010 .

CASPT2 study on low‐lying states of HBN and HNB radicals

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2011 .

Ab initio study of the structure, cooperativity, and vibrational properties in the mixed hydrogen-bonded trimers of hydrogen isocyanide and water

Qingzhong Li, Jian-Bo Cheng, Wenzuo Li, 2011 .

Gigantic blue shift of the H-Ar stretch vibration in pi hydrogen-bonded C(2)H(2)...HArCCF complex.

Qingzhong Li, Jian-Bo Cheng, Zhenbo Liu, 2009, The journal of physical chemistry. A.

Competition between hydrogen bond and halogen bond in complexes of formaldehyde with hypohalous acids.

Tao Liu, Jianbo Cheng, Qingzhong Li, 2010, Physical chemistry chemical physics : PCCP.

Structures of the phosphinidene germylenoid HP=GeLiF and its cycloaddition reaction with ethylene

Qingzhong Li, Wenzuo Li, Bingfei Yan, 2018, Structural Chemistry.

A new minor diketopiperazine from the sponge-derived fungus Simplicillium sp. YZ-11

Jianhua Wang, Wenzuo Li, Sheng-Tao Fang, 2015, Natural product research.

Enhancing the function, non-additivity, and substitution position effect of the Li atom in the cation–π interaction and its mechanism: an ab initio study of Li+ ··· Li-substituted benzene complexes

F. Luan, Qingzhong Li, Zhenbo Liu, 2012 .

Theoretical study on the beryllium chlorogermylenoid H2GeClBeCl

Wenzuo Li, Cuiping Xiao, B. Gong, 2007 .

DFT study on the unsaturated germylenoid H2CGeNaF

Wenzuo Li, Cuiping Xiao, B. Gong, 2006 .

Green Catalytic Method for Hydrothiolation of Allylamines: An External Electric Field

Ziyan Zhou, Shuping Zhuo, Zhongmin Su, 2022, ACS omega.

External electric field: a new catalytic strategy for the anti-Markovnikov hydrohydrazination of parent hydrazine

Ziyan Zhou, Shuping Zhuo, Hong-liang Xu, 2021, RSC advances.

Theoretical investigation of the addition reaction of the aluminum chlorosilylenoid H2SiAlCl3 with ethylene

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2016, Journal of Molecular Modeling.

A new exploration of the addition reaction of the silylenoid H2SiLiF with ethylene

Qingzhong Li, Wenzuo Li, Ming-Xia Zhang, 2015, Journal of Molecular Modeling.

Theoretical study on germylenoid H2GeFBeF

Qingzhong Li, Wenzuo Li, Quan Cao, 2012, Structural Chemistry.

Structure of H2GeFMgF and its insertion reactions with RH (R = F, OH, NH2)

Qingzhong Li, Wenzuo Li, Ming-Xia Zhang, 2015 .

New insights into the insertion reactions of germylenoid H2GeLiF with RH (R = F, OH, NH2)

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2015, Journal of Molecular Modeling.

Novel CX⋯π halogen bonds in complexes of acetylene and its derivatives of Na and MPH3 (M=Cu, Ag, Au) with XCCF (X=Cl, Br, I).

Qingzhong Li, Hongying Zhuo, Wenzuo Li, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

How do organic gold compounds and organic halogen molecules interact? Comparison with hydrogen bonds

Haibei Li, Qingzhong Li, Wenzuo Li, 2015 .

Competition and cooperativity between tetrel bond and chalcogen bond in complexes involving F2CX (X = Se and Te)

Qingzhong Li, Wenzuo Li, Jian-Bo Cheng, 2015 .

Is π halogen bonding or lone pair···π interaction formed between borazine and some halogenated compounds?

Jianbo Cheng, Qingzhong Li, Qingzhong Li, 2014, Physical chemistry chemical physics : PCCP.

Competition between π-hole interaction and hydrogen bond in the complexes of F2XO (X = C and Si) and HCN

Qingzhong Li, Wenzuo Li, L. Cao, 2014, Journal of Molecular Modeling.

Complexes between hypohalous acids and phosphine derivatives. Pnicogen bond versus halogen bond versus hydrogen bond.

Qingzhong Li, Hongying Zhuo, Xin Yang, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A theoretical analysis of the weakly bound complexes HM ··· HXY (M=O and S; XY=CN and NC): comparison with H2M ··· HXY complexes

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2010 .

Terpenoids from the Marine-Derived Fungus Aspergillus sp. RR-YLW-12, Associated with the Red Alga Rhodomela confervoides.

Xiu-li Yin, Naiyun Ji, Xiang-hong Liu, 2021, Journal of natural products.

Monolayer Ti₂CO₂: A Promising Candidate for NH₃ Sensor or Capturer with High Sensitivity and Selectivity.

Qingzhong Li, Xue-fang Yu, Xin Yang, 2015, ACS applied materials & interfaces.

Theoretical prediction on low-lying states of HAlP and HPAl radicals

Qingzhong Li, Wenzuo Li, Cuiping Xiao, 2013 .

CASPT2 study on low-lying states of HBS+ and HSB+ cations

Qingzhong Li, Wenzuo Li, Yu-Wei Pei, 2011 .

Cl-loss and H-loss dissociations in low-lying electronic states of the CH3Cl+ ion studied using multiconfiguration second-order perturbation theory.

Wenzuo Li, Bo‐Zhen Chen, Hong-Wei Xi, 2010, The journal of physical chemistry. A.

Relativistic multireference calculation of photodissociation of o-, m-, and p-bromofluorobenzene.

Yajun Liu, Wenzuo Li, Shu-feng Chen, 2011, The Journal of chemical physics.

Theoretical study on HBO+ and HOB+ cations using multiconfiguration second‐order perturbation theory

Jian-Bo Cheng, Qing-Zhong Li, Wen-Zuo Li, 2009, J. Comput. Chem..

CASPT2 study on HAlN and HNAl radicals

Qingzhong Li, Wenzuo Li, Yu-Wei Pei, 2012 .

Comparative study of XO···ClF and XS···ClF (X = H, CH3, and F) halogen‐bonded complexes

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2010 .

Spin-orbit ab initio investigation of the photodissociation of C2H5Br

Qingzhong Li, Wenzuo Li, Cuiping Xiao, 2013, Structural Chemistry.

Mg intercalation into Ti2C building block

Qingzhong Li, Zhenbo Liu, Xin Yang, 2015 .

Screening NIR fluorescent sensor based on HBQ derivatives: A theoretical study

Qingzhong Li, Zhenbo Liu, Xin Yang, 2019, Journal of Photochemistry and Photobiology A: Chemistry.

Comparison of tetrel bonds and halogen bonds in complexes of DMSO with ZF3X (Z = C and Si; X = halogen)

Haibei Li, Qingzhong Li, Wenzuo Li, 2016 .

Novel non-covalent interactions involved with the Al13M cluster (M = Li, Na, K, Cu, Ag, Au)

Qingzhong Li, Hongying Zhuo, Wenzuo Li, 2014 .

Low-lying electronic states of the C6H5Cl+ ion studied using multiconfiguration wave functions

Wenzuo Li, Ming-Bao Huang, 2005 .

Competition of chalcogen bond, halogen bond, and hydrogen bond in SCSHOX and SeCSeHOX (X = Cl and Br) complexes

Qingzhong Li, Wenzuo Li, Hui Li, 2012 .

The band gap modulation of monolayer Ti2CO2 by strain

Jianbo Cheng, Qingzhong Li, Zhenbo Liu, 2015 .

Theoretical prediction on HBeN− and HNBe− anions using multiconfiguration second-order perturbation theory

Qingzhong Li, Wenzuo Li, Jia-Zhong Sun, 2010 .

Theoretical study on HBC− and HCB− anions using multiconfiguration second-order perturbation theory

Qingzhong Li, Wenzuo Li, Jia-Zhong Sun, 2009 .

A density functional theory study of the decomposition mechanism of nitroglycerin

Yanhui Tang, Wenzuo Li, Kehai Dong, 2017, Journal of Molecular Modeling.

Theoretical studies of the decomposition mechanisms of 1,2,4-butanetriol trinitrate

Yanhui Tang, Wenzuo Li, Kehai Dong, 2017, Journal of Molecular Modeling.

Carbon Excess C3N: A Potential Candidate as Li-Ion Battery Material.

Qingzhong Li, Wenzuo Li, Xue-fang Yu, 2018, ACS applied materials & interfaces.

Theoretical study on the cooperativity of hydrogen bonds in (HNC)2⋯HF complexes

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2009 .

Is a Hm−1X (X = O, S, Se, m = 1; X = N, m = 2; X = C, m = 3) radical a better proton donor than HmX–H in hydrogen bonding?

Qingzhong Li, Wenzuo Li, Huizhi Kou, 2011 .

Internal rotations in the difluorobutadiene and tetrafluorobutadiene molecules: a DFT B3LYP study

Wenzuo Li, Feng-Ling Liu, Hong-Wei Xi, 2004 .

Equilibrium structures and hyperfine parameters of some fluorinated hydrocarbon radical cations: a DFT B3LYP and MP2 study

Wenzuo Li, Ming-Bao Huang, 2003 .

Community square collective sports activity sound development fuzzy evaluation research

Wenzuo Li, Yongfeng He, 2014 .

Prediction and characterization of the HMgHLiX (X = H, OH, F, CCH, CN, and NC) complexes: a lithium-hydride lithium bond.

Jianbo Cheng, Qingzhong Li, Yifang Wang, 2009, Physical chemistry chemical physics : PCCP.

The structure, properties, and nature of unconventional π halogen bond in the complexes of Al42- and halohydrocarbons

Qingzhong Li, Wenzuo Li, Ran Li, 2012, Journal of Molecular Modeling.

A new unconventional halogen bond CX···HM between HCCX (X = Cl and Br) and HMH (M = Be and Mg): An ab initio study

Xu Dong, Bo Jing, Jian-Bo Cheng, 2009, J. Comput. Chem..

Corrosion Performance of Zn-Al-Cd Alloy in Amphora-containing f/2 Culture Medium

Xiumin Ma, Zhenhua Yu, Jie Yang, 2016, International Journal of Electrochemical Science.

Theoretical study on water behavior on the copper surfaces

Jin Zhao, Shaoli Liu, Wenzuo Li, 2021, Journal of Molecular Modeling.

Interplay between metal⋅⋅⋅π interactions and hydrogen bonds: some unusual synergetic effects of coinage metals and substituents.

Qingzhong Li, Xin Yang, Wenzuo Li, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Influence of hybridization and cooperativity on the properties of Au-bonding interaction: comparison with hydrogen bonds.

F. Luan, Qingzhong Li, Zhenbo Liu, 2011, The journal of physical chemistry. A.

Regulation of coin metal substituents and cooperativity on the strength and nature of tetrel bonds

Qingzhong Li, Yuanxin Wei, Wenzuo Li, 2017 .

The addition reactions of germylenoid H2GeAlCl3 with ethylene: a theoretical investigation

Qingzhong Li, Wenzuo Li, Jian-Bo Cheng, 2017, Journal of Molecular Modeling.

A new reaction mode of germanium-silicon bond formation: insertion reactions of H2GeLiF with SiH3X (X = F, Cl, Br)

Qingzhong Li, Wenzuo Li, Bingfei Yan, 2013, Journal of Molecular Modeling.

Substitution, cooperative, and solvent effects on π pnicogen bonds in the FH2P and FH2As complexes

Qingzhong Li, Wenzuo Li, Xiaofeng Liu, 2012, Journal of Molecular Modeling.

Tetrel bonds between PySiX3 and some nitrogenated bases: Hybridization, substitution, and cooperativity.

Qingzhong Li, Wenzuo Li, Mingxiu Liu, 2016, Journal of molecular graphics & modelling.

Metal-Doped C3B Monolayer as the Promising Electrocatalyst for Hydrogen/Oxygen Evolution Reaction: A Combined Density Functional Theory and Machine Learning Study.

Chen Chen, Qingzhong Li, Wenzuo Li, 2023, ACS applied materials & interfaces.

Theoretical study on water adsorption and dissociation on the nickel surfaces

Jin Zhao, Shaoli Liu, Wenzuo Li, 2021, Journal of Molecular Modeling.

The prominent enhancing effect and mechanism of the methyl group in the X···Y (X=O, S, H3CO, H3CS, (H3C)2O, (H3C)2S; Y=HCN, HNC) hydrogen-bonded complex

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2011 .

The structure, properties, and nature of HArF‐HOX (X = F, Cl, Br) complex: An ab initio study and an unusual short hydrogen bond

Qingzhong Li, Jun-Ling Zhao, Bo Jing, 2011, J. Comput. Chem..

Interplay between halogen bond and lithium bond in MCN‐LiCN‐XCCH (M = H, Li, and Na; X = Cl, Br, and I) complex: The enhancement of halogen bond by a lithium bond

Zhenbo Liu, Ran Li, Jian-Bo Cheng, 2011, J. Comput. Chem..

Surprising enhancing effect of methyl group on the strength of O⋯XF and S⋯XF (X=Cl and Br) halogen bonds.

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2010, The Journal of chemical physics.

Tf2O/DMSO-Promoted P-O and P-S Bond Formation: A Scalable Synthesis of Multifarious Organophosphinates and Thiophosphates.

Shangdong Yang, Wenzuo Li, Jian-Kun Shen, 2021, Organic letters.

THEORETICAL STUDY ON HBeP- AND HPBe- ANIONS USING MULTICONFIGURATION SECOND-ORDER PERTURBATION THEORY

Qingzhong Li, Wenzuo Li, Yu-Wei Pei, 2012 .

Theoretical prediction on low-lying states of HBP and HPB radicals

Qingzhong Li, Wenzuo Li, Yu-Wei Pei, 2012 .

Synergistic and diminutive effects between halogen bond and lithium bond in complexes involving aromatic compounds

Qingzhong Li, Wenzuo Li, Mingxiu Liu, 2015, Journal of Molecular Modeling.

Competition and cooperativity between hydrogen bond and σ-hole bond in SCS–(HF)n (n = 1 and 2) systems

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2010 .

CASPT2 study on low‐lying states of HMgO and HOMg

Qingzhong Li, Wenzuo Li, Yu-Wei Pei, 2012 .

Theoretical study on low‐lying states of HAlO+ and HOAl+ cations

Qingzhong Li, Wenzuo Li, Yu-Wei Pei, 2011 .

Assignment on the X, A, B, C, and D states of the C6H5Br+ cation based on high‐level calculations

Qingzhong Li, Wenzuo Li, Jia-Zhong Sun, 2010 .

Theoretical investigation on the Pt(ІІ)-catalyzed [3+2] cycloaddition reactions of propargyl ether derivatives with n-butyl vinyl ether

Dongju Zhang, Tao Liu, Wenzuo Li, 2012 .

Gas-phase activation of methane with PtOH+

Shaoli Liu, Qingzhong Li, Wenzuo Li, 2018, Computational and Theoretical Chemistry.

Surprising enhancing effect of methyl group on the strength of O⋯XF and S⋯XF (X=Cl and Br) halogen bonds.

Qingzhong Li, Zhenbo Liu, Wenzuo Li, 2010, The Journal of chemical physics.

An unconventional halogen bond with carbene as an electron donor: An ab initio study

Jianbo Cheng, Qingzhong Li, Zhenbo Liu, 2009 .

Hydrogen-triggered metal filament rupture in Cu-based resistance switches

Wenzuo Li, Xu‐Ya Yu, Bo Xiao, 2024, Science and technology of advanced materials.

Photoinduced sulfonylation cyclization to medium-sized benzo[b]azocine and mechanistic insight

Q. Zhang, G. Zheng, Wenzuo Li, 2023, Organic Chemistry Frontiers.

Regulating function of methyl group in strength of CH...O hydrogen bond: a high-level ab initio study.

F. Luan, Qingzhong Li, Wenzuo Li, 2008, The journal of physical chemistry. A.

Insight into the addition reactions of stannylenoid H_2SnLiF with ethylene

Shaoli Liu, Wenzuo Li, Bingfei Yan, 2023, Journal of Molecular Modeling.

Structures of the germylenoid H2GeZnCl2 and its addition reactions with ethylene

Qingzhong Li, Wenzuo Li, Bingfei Yan, 2016, Structural Chemistry.