Huiling Liu

发表

Theoretical Study on the Structures and Stability of SiC3P Isomers

Yi‐hong Ding, Xuri Huang, Chia-Chung Sun, 2004 .

Theoretical investigation on the interaction of hypergolic monomethylhydrazine with 1-chloro-1,1-dinitro-2-(N-chloroamidino)ethane using DFT methods

Xuri Huang, W. Feng, Huiling Liu, 2017, Theoretical Chemistry Accounts.

Mechanistic studies on the pH-controllable interconversion between hydrogen and formic acid in water: DFT insights

Xuri Huang, Huiling Liu, Dandan Zhang, 2015 .

Atomic radical–molecule reaction N (4S) + NO2 (2A1): Mechanistic study

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2009 .

A dual channel optical detector for trace water chemodosimetry and imaging of live cells.

Yuyu Pan, Guirong Zhang, Huiling Liu, 2013, The Analyst.

Inserting phenylethynyl linker into triphenylamine-based hyperbranched polyimide for effectively tuning memory performance

B. Zhang, H. Yao, Shiyang Zhu, 2018, Dyes and Pigments.

Iron‐Catalyzed N‐Alkylation of Secondary Amines with Alcohols Using Borrowing Hydrogen Strategy

Xuri Huang, Huiling Liu, Ruxin Qu, 2021 .

Theoretical study on the mechanism of C2Cl3 + NO2 reaction

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2009 .

Theoretical study on the ion–molecule reaction of NH+ with CH2O

Xuri Huang, Zhongjun Zhou, Huiling Liu, 2012 .

Comparative insight into electronic properties and reactivities toward C-H bond activation by iron(IV)-nitrido, iron(IV)-oxo, and iron(IV)-sulfido complexes: a theoretical investigation.

Xuri Huang, Huiling Liu, Hao Tang, 2013, Inorganic chemistry.

Methanol dissociation and oxidation on single Fe atom supported on graphitic carbon nitride

Xuri Huang, W. Feng, Huiling Liu, 2019, Applied Organometallic Chemistry.

Theoretical insights into the reaction mechanism and solvation effect of conjugate addition of dimethyl propanedioate to 1-nitroprop-1-ene catalyzed by cinchona alkaloids

Xuri Huang, Huiling Liu, Y. Liu, 2015, Structural Chemistry.

Theoretical study on mechanism of cinchona alkaloids catalyzed asymmetric conjugate addition of dimethyl malonate to β-nitrostyrene

Xuri Huang, Huiling Liu, Haiyang Jiang, 2014 .

Theoretical investigation on mechanism of asymmetric Michael addition of trans-1-nitro-2-phenylethylene to 2-methylpropionaldehyde catalyzed by a Cinchona alkaloid-derived primary amine

M. Zhang, Xuri Huang, Huiling Liu, 2014, Structural Chemistry.

Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2011, Journal of molecular modeling.

Computational study on C1- versus C3-regioselectivity in Pd(II)-catalyzed olefination/dearomatization of 2-naphthyl ureas

Xuri Huang, Huiling Liu, Qifeng Wang, 2019, Molecular Catalysis.

Mechanism for the formation of benzene in the Titan’s atmosphere: A theoretical study on the mechanism of C4H2++C2H4 reaction

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2012 .

Tunable memory performances of the porphyrin terminated hyperbranched polyimides

H. Yao, Shiyang Zhu, Huiling Liu, 2018, Journal of Polymer Science Part A: Polymer Chemistry.

Theoretical study for ozonolysis of 1,3-butadiene

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2010 .

Theoretical study on the ion–molecule reaction of HCN+ with NH3

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2009 .

Theoretical studies on structures and stabilities of C4H2+ isomers

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2013, Chemical Research in Chinese Universities.

Theoretical study on the mechanism of the NCO + CH3 reaction

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2010 .

HOMO-controlled donor-acceptor contained polyimide for nonvolatile resistive memory device

H. Yao, Yunhe Zhang, Shiyang Zhu, 2020 .

Theoretical study on the structures and stability of Si2PS isomers

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2009 .

Theoretical study on the potential energy surface of SiC2O

Xuri Huang, Chia-Chung Sun, Huiling Liu, 2007 .

Si2CS: A new sulfur-containing molecule with singlet cyclic ground state

Xuri Huang, Chia-Chung Sun, Zhongjun Zhou, 2008 .

DFT Study on the Homogeneous Palladium-Catalyzed N-Alkylation of Amines with Alcohols

Huiling Liu, Xubo Huang, Xue Yang, 2015 .

Hydrogen generation from alcohols (α-hydroxy carboxylic acids) and alcohol–ammonia coupling in aqueous media catalysed by water-soluble bipyridine-Cp*Ir (Rh or Os) catalyst: a computational mechanism insight

Xuri Huang, Huiling Liu, Dandan Zhang, 2015 .

DFT study on the iridium-catalyzed multi-alkylation of alcohol with ammonia

Xuri Huang, Huiling Liu, Dandan Zhang, 2016 .

DFT Study on Mechanism of N-Alkylation of Amino Derivatives with Primary Alcohols Catalyzed by Copper(II) Acetate

Huiling Liu, Dandan Zhang, Xubo Huang, 2014 .

Mechanistic study on the Cp*iridium-catalyzed N-alkylation of amines with alcohols

Xuri Huang, Huiling Liu, Dandan Zhang, 2015 .

Iron-catalyzed olefin synthesis by direct coupling of alkenes with alcohols: A DFT investigation

Xuri Huang, W. Feng, Huiling Liu, 2018, Computational and Theoretical Chemistry.

Theoretical investigation on the mechanism of ferrocenecarboxaldehyde-catalyzed direct β-alkylation of 1-phenylethanol with benzyl alcohol

Xuri Huang, Rui Wang, W. Feng, 2016 .

Theoretical elucidation of the rhodium‐catalyzed [4 + 2] annulation reactions

Chia-Chung Sun, Zhuo Li, Hui-Ling Liu, 2008, J. Comput. Chem..

A computational mechanistic study of pH-dependent alcohol dehydrogenation catalyzed by a novel [C,N] or [C,C] cyclometalated Cp*Ir complex in aqueous solution

Xuri Huang, Huiling Liu, Dandan Zhang, 2014 .

Theoretical investigation on the mechanism of FeCl3-catalysed cross-coupling reaction of alcohols with alkenes

Xuri Huang, Huiling Liu, Hao Tang, 2014 .

Methanol activation catalyzed by Pt7, Pt3Cu4, and Cu7 clusters: A density functional theory investigation

Xuri Huang, W. Feng, Huiling Liu, 2018 .

Dissociation and oxidation mechanism of methanol on Al12N12 cage: a DFT study

Xuri Huang, W. Feng, Huiling Liu, 2018, Theoretical Chemistry Accounts.

Radical reaction HCNO + 3NH: a mechanistic study

Xuri Huang, Huiling Liu, Yan-bo Sun, 2009 .

Structure and Stability of Isomers of the Promising Interstellar Molecule PC3O

Xuri Huang, Guangtao Yu, Huiling Liu, 2006 .

Reaction mechanism of CHCl− + CSO: A theoretical study

Xuri Huang, Zhongjun Zhou, Huiling Liu, 2010 .

A barrier-free molecular radical-molecule reaction: $${^{3}C_{2} (a^{3}\Pi) {+} O_{2} (X^{3} \Sigma)}$$

Xuri Huang, Huiling Liu, Caiyun Geng, 2007 .

Theoretical study on structures and stability of SiCP2 isomers

Xuri Huang, Guangtao Yu, Huiling Liu, 2008 .

Theoretical study on the potential energy surface of NC3P isomers

Yi‐hong Ding, Xuri Huang, Huiling Liu, 2007 .

Theoretical study on the potential energy surface of NC3P isomers

Yi‐hong Ding, Xuri Huang, Huiling Liu, 2007 .

Theoretical investigation on the reaction of HS+ with CH3NH2

Xuri Huang, Huiling Liu, Hao Tang, 2013, Chemical Papers.

Bonding and correlation analysis of various Si2CO isomers on the potential energy surface

Xuri Huang, Zhongjun Zhou, Guangtao Yu, 2009 .

Theoretical study on the reaction mechanism of NH2(-) with O2 (a1Δg).

Huiling Liu, Dan Li, Y. Jiao, 2011, The journal of physical chemistry. A.

Synthesis and memory characteristics of highly organo-soluble hyperbranched polyimides with various electron acceptors

H. Yao, Shiyang Zhu, Huiling Liu, 2017 .

Theoretical study on PCCCP and its isomers

Yi‐hong Ding, Xuri Huang, Huiling Liu, 2006 .

Exploring the Mechanism of the Palladium-Catalyzed 3-Butene-2-ol Amination Reaction: A DFT Study

Xuri Huang, W. Feng, Huiling Liu, 2020, Frontiers in Chemistry.

Theoretical study on structures and stability of SiC3S isomers

Xuri Huang, Guangtao Yu, Huiling Liu, 2007, The journal of physical chemistry. A.

Heteroatom-doped fullerene C70 as non-metal electrocatalysts for oxygen reduction and oxygen evolution from computational study

Huiling Liu, Yaxuan Cheng, Siwei Yang, 2022, Diamond and Related Materials.

Theoretical investigation on the interaction of subnano platinum clusters with graphene using DFT methods

Xuri Huang, W. Feng, Qi Qi, 2015 .

Effect of substitution and cooperativity on the Cl–F blue shift in single-electron halogen-bonded H3C ··· ClF complex

Xuri Huang, Zhongjun Zhou, Huiling Liu, 2010 .

The catalytic activity of Pt6M (M = Pt, Ru, Sn) cluster for methanol partial oxidation

Xuri Huang, Huiling Liu, Yanyang Chen, 2015 .

Probing the activity of transition metal M and heteroatom N4 co-doped in vacancy fullerene (M–N4–C64, M = Fe, Co, and Ni) towards the oxygen reduction reaction by density functional theory

Xuri Huang, Huiling Liu, Ruxin Qu, 2021, RSC advances.

A barrier-free atomic radical-molecule reaction: N (2D) NO2 (2A1) mechanistic study

Xuri Huang, Huiling Liu, M. Zuo, 2008 .

A theoretical study of the reaction of N(4S) with nitrogen dioxide on the N2O2 potential energy surface

Xuri Huang, Huiling Liu, M. Zuo, 2012, Russian Journal of Physical Chemistry A.

AB INITIO INVESTIGATIONS OF THE RADICAL–RADICAL REACTION: N (4S) + NCO (X2Π)

Xuri Huang, Huiling Liu, M. Zuo, 2009 .

Catalytic activity of Ru‐N 4 doped vacancy fullerenes (Ru‐N 4 ‐C 54 and Ru‐N 4 ‐C 64 ) for oxygen reduction and CO oxidation: A density functional theory investigation

Xuri Huang, Huiling Liu, Yaxuan Cheng, 2022, Applied Organometallic Chemistry.

Synergy Effect of Porphyrin Units and Alkynyl π Bridges Tunes the Memory Behavior and Threshold Voltage of Hyperbranched Polyimides

Tianjiao Wang, H. Yao, Yunhe Zhang, 2020 .

Construction of WORM-type polyimide memory materials with low threshold voltage by introducing triazole units and conjugated pendant groups

H. Yao, Kaixiang Shi, Huiling Liu, 2021 .

Analysis of an alternative to the H-atom abstraction mechanism in methane C-H bond activation by nonheme iron(IV)-oxo oxidants.

Xuri Huang, Huiling Liu, Hao Tang, 2013, Dalton transactions.

The effect of the axial ligand on distinct reaction tunneling for methane hydroxylation by nonheme iron(IV)-oxo complexes.

Xuri Huang, Huiling Liu, Hao Tang, 2012, Physical chemistry chemical physics : PCCP.

Comparison of the FeO2+ and FeS2+ complexes in the cyanide and isocyanide ligand environment for methane hydroxylation

Hao Tang, Yu-Hong Yang, Ying Zhao, 2012, J. Comput. Chem..

The theoretical chemical calculations clarify the mechanism of beta-alkylation of 1-phenylethanol with benzyl alcohol catalyzed by iron(ii) acetylacetonate methods

Xuri Huang, W. Feng, Huiling Liu, 2018, RSC advances.

Theoretical study on the reaction of PH+ with H2O

Xuri Huang, Huiling Liu, Hao Tang, 2011 .

An theoretical investigation of reaction site of 2,4′,6-trifluorobenzophenone, 2,4′,6-trifluorophenylsulfone with hydroquinone

Xuri Huang, Huiling Liu, Dandan Zhang, 2015 .

Radical–radical reactions NCO (X2∏) + Cl (2Pu): Mechanistic study

Xuri Huang, Huiling Liu, Dequan Wang, 2009 .

Ion-molecule reaction mechanism of SF+ + PSCl3

Xuri Huang, Huiling Liu, Dequan Wang, 2009 .

Analysis of an alternative to the H-atom abstraction mechanism in methane C-H bond activation by nonheme iron(IV)-oxo oxidants.

Xuri Huang, Huiling Liu, Hao Tang, 2013, Dalton transactions.