Personal information

Keywords

computational chemistry, ab initio, density functional theory, maxtrix isolation, atoms-in-molecule (AIM)

Countries

China

Activities

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Employment (1)

Tianjin Normal University: Tianjin, Tianjin, CN

2006-09 to present (College of Chemistry)
Employment
Source: Self-asserted source
zhengguo huang

Education and qualifications (1)

Fudan University: Shanghai, Shanghai, CN

2001-09 to 2004-06 | Doctor (Department of Chemistry)
Education
Source: Self-asserted source
zhengguo huang

Works (41)

The first 2,6-di(1,6-naphthyridin-2-yl)pyridine-based redox photochromic coordination polymer platform with selective vapochromism for trolamine

Inorganic Chemistry Frontiers
2021 | Journal article
DOI: 10.1039/D1QI00683E
Contributors: Lei Li; Yan Zhao; Xiu-Guang Wang; Wei-Chao Song; Zheng-Guo Huang; Xiao-Jun Zhao; En-Cui Yang
Source: check_circle
Crossref

Theoretical studies on the products formed by cerium atom reacting with XF3 (X = N, P and As)

Computational and Theoretical Chemistry
2021-07 | Journal article
DOI: 10.1016/j.comptc.2021.113253
Contributors: Zhengguo Huang; Shanshan Du; Yajie Guo; Lanna Liu
Source: check_circle
Crossref

The bonds and aromaticities of [NgBxOy]+ (Ng = Ar, Kr and Xe; x = 3–5, y = 5–7)

Computational and Theoretical Chemistry
2020-06 | Journal article
DOI: 10.1016/j.comptc.2020.112798
Contributors: Zhengguo Huang; Yajie Guo; Yuqing Li
Source: check_circle
Crossref

Multiple bonds of heavier group 14 compounds: H2CYX2 and HXCYX2 (X = F, Cl, Br and I, Y = Si and Ge)

Inorganica Chimica Acta
2020-04 | Journal article
DOI: 10.1016/j.ica.2020.119430
Part of ISSN: 0020-1693
Source: Self-asserted source
zhengguo huang

An ab initio study on coinage atom-inserted cyanide/isocyanide: XMCN/XMNC (M = coinage atoms; X = halogen)

RSC Advances
2018 | Journal article
DOI: 10.1039/C8RA00397A
Contributors: Zhengguo Huang; Xiaohong Wang; Jingbo Zhang; Yuqing Li; Yuying Li
Source: check_circle
Crossref

An ab initio study on noble gas inserted halogenated acetylene: HNgCCX (Ng = Kr and Xe; X = halogen)

Scientific Reports
2017-08-31 | Journal article
DOI: 10.1038/s41598-017-10786-0
Contributors: Zhengguo Huang; Yuying Li; Xiaohong Wang
Source: check_circle
Crossref

Computational insights into CH3MX (M = Cu, Ag and Au; X = H, F, Cl, Br and I)

RSC Adv.
2016 | Journal article
DOI: 10.1039/c6ra18033g
Contributors: Zhengguo Huang; Yuan Yuan; Le Sun; Xiaohong Wang; Yuying Li
Source: Self-asserted source
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Theoretical Insights into Halogenated Uranium Cyanide/Isocyanide Compounds

Inorganic Chemistry
2016 | Journal article
DOI: 10.1021/acs.inorgchem.6b01345
Contributors: Zhengguo Huang; Le Sun; Yuan Yuan; Yuying Li; Xiaohong Wang
Source: Self-asserted source
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Theoretical study of the reactions of transition-metal monoxides (Sc–V) with monochloromethane: Structures, energies and reaction mechanisms

Computational and Theoretical Chemistry
2016-01 | Journal article
DOI: 10.1016/j.comptc.2015.10.029
Contributors: Zhengguo Huang; Bohai Zhang; Qi Wang; Yuan Yuan; Le Sun
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Theoretical study on H2Y⋯AgX (X=F, Cl, Br, I; Y=O, S) complexes: Structures, energies and bonding

Chemical Physics Letters
2014-10 | Journal article
DOI: 10.1016/j.cplett.2014.09.009
Contributors: Qi Wang; Bohai Zhang; Zhengguo Huang
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Theoretical study on the selectivity of the insertion xenon atom into hypohalous acids

Inorganica Chimica Acta
2014-04 | Journal article
DOI: 10.1016/j.ica.2014.02.009
Contributors: Lingling Ma; Zhengguo Huang; Xiqian Niu; Bohai Zhang; Qi Wang
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A theoretical study on the hydrogen bonding interactions in HXeCCH⋯Y (Y=H2O and HF) complexes

Computational and Theoretical Chemistry
2013-08 | Journal article
DOI: 10.1016/j.comptc.2013.04.019
Contributors: Lingling Ma; Zhengguo Huang; Xiqian Niu; Tingting Shen; Lingfei Guo
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Density functional theory, natural bond orbital and quantum theory of atoms in molecule analyses on the hydrogen bonding interactions in tryptophan-water complexes

Journal of Chemical Sciences
2013-07 | Journal article
DOI: 10.1007/s12039-013-0445-3
Contributors: XIQIAN NIU; ZHENGGUO HUANG; LINGLING MA; TINGTING SHEN; LINGFEI GUO
Source: Self-asserted source
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Theoretical Study on the Hydrogen Bonding Interactions in Complexes of 5-Hydroxytryptamine with Water

Chinese Journal of Chemistry
2013-05 | Journal article
DOI: 10.1002/cjoc.201300192
Contributors: Lingfei Guo; Zhengguo Huang; Tingting Shen; Lingling Ma; Xiqian Niu
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Theoretical study of HKrOX (X = F, Cl, Br and I): structure, anharmonic vibrational spectroscopy, stability and bonding

Physical Chemistry Chemical Physics
2012 | Journal article
DOI: 10.1039/c2cp40165g
Contributors: Zhengguo Huang; Lingfei Guo; Tingting Shen; Lingling Ma; Xiqian Niu
Source: Self-asserted source
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An ab initio study on the insertion of radon atoms into hypohalous acids

Inorganica Chimica Acta
2012-05 | Journal article
DOI: 10.1016/j.ica.2012.02.007
Contributors: Tingting Shen; Zhengguo Huang; Lingfei Guo; Hongke Wang
Source: Self-asserted source
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Theoretical study on the hydrogen bonding interactions in 1:1 supermolecular complexes of noradrenaline with water

Structural Chemistry
2012-01-06 | Journal article
DOI: 10.1007/s11224-011-9940-7
Contributors: Hongke Wang; Zhengguo Huang; Tingting Shen; Lingfei Guo
Source: Self-asserted source
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Hydrogen-bonding interactions in adrenaline–water complexes: DFT and QTAIM studies of structures, properties, and topologies

Journal of Molecular Modeling
2012-01-03 | Journal article
DOI: 10.1007/s00894-011-1325-8
Contributors: Hongke Wang; Zhengguo Huang; Tingting Shen; Lingfei Guo
Source: Self-asserted source
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Structures, vibrational frequencies, topologies, and energies of hydrogen bonds in cysteine-formaldehyde complexes

International Journal of Quantum Chemistry
2011-05-06 | Journal article
DOI: 10.1002/qua.23121
Contributors: Lei Yu; Yuhua Wang; Zhengguo Huang; Hongke Wang; Yumei Dai
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Microsolvation effect and hydrogen-bonding pattern of taurine-water TA-(H2O)n (n = 1–3) complexes

Journal of Molecular Modeling
2011-04 | Journal article
DOI: 10.1007/s00894-011-1070-z
Contributors: Yumei Dai; Yuhua Wang; Zhengguo Huang; Hongke Wang; Lei Yu
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Microsolvation of aminoethanol: a study using DFT combined with QTAIM

Journal of Molecular Modeling
2011-02-02 | Journal article
DOI: 10.1007/s00894-011-0973-z
Contributors: Zhengguo Huang; Yumei Dai; Hongke Wang; Lei Yu
Source: Self-asserted source
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Hydrogen bonding interactions in noradrenaline-DMSO complexes: DFT and QTAIM studies of structure, properties and topology

Journal of Molecular Modeling
2011-01 | Journal article
DOI: 10.1007/s00894-011-0956-0
Contributors: Zhengguo Huang; Yumei Dai; Lei Yu; Hongke Wang
Source: Self-asserted source
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Hydrogen bonding interactions between N,N-dimethylformamide and cysteine: DFT studies of structures, properties, and topologies

Structural Chemistry
2010-11 | Journal article
DOI: 10.1007/s11224-010-9689-4
Contributors: Zhengguo Huang; Lei Yu; Yumei Dai; Hongke Wang
Source: Self-asserted source
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Hydrogen bonding interactions in cysteine–urea complexes: Theoretical studies of structures, properties and topologies

Journal of Molecular Structure: THEOCHEM
2010-11 | Journal article
DOI: 10.1016/j.theochem.2010.08.029
Contributors: Zhengguo Huang; Lei Yu; Yumei Dai; Hongke Wang
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Density functional theory and topological analysis on the hydrogen bonding interactions in cysteine-thymine complexes

International Journal of Quantum Chemistry
2010-09 | Journal article
DOI: 10.1002/qua.22772
Contributors: Zhengguo Huang; Lei Yu; Yumei Dai
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Density functional theory and topological analysis on the hydrogen bonding interactions in N-protonated adrenaline–DMSO complexes

Structural Chemistry
2010-05 | Journal article
DOI: 10.1007/s11224-010-9621-y
Contributors: Zhengguo Huang; Yumei Dai; Lei Yu
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Density functional theory and topological analysis on the hydrogen bonds in cysteine–propanoic acid complexes

Structural Chemistry
2010-05 | Journal article
DOI: 10.1007/s11224-010-9620-z
Contributors: Zhengguo Huang; Lei Yu; Yumei Dai
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Combined DFT with NBO and QTAIM studies on the hydrogen bonds in (CH3OH) n (n = 2–8) clusters

Structural Chemistry
2010-01 | Journal article
DOI: 10.1007/s11224-010-9588-8
Contributors: Zhengguo Huang; Lei Yu; Yumei Dai
Source: Self-asserted source
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Anab initiopotential energy surface and vibrational energy levels of ZnH2

Journal of Computational Chemistry
2009 | Journal article
DOI: 10.1002/jcc.21384
Contributors: Zheng Guo Huang; Lei Yu; Yu Mei Dai
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An ab initio potential energy surface and vibrational energy levels of HXeO

Chemical Physics
2009-05 | Journal article
DOI: 10.1016/j.chemphys.2009.03.002
Contributors: Zhengguo Huang
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A density functional theoretical studies on the structures and aromaticities of (CH)n(BCO)6−n (n=0–6)

Chinese Chemical Letters
2008-11 | Journal article
DOI: 10.1016/j.cclet.2008.07.025
Contributors: Zheng Guo Huang; Li Zhou; En Cui Yang
Source: Self-asserted source
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An ab initio potential energy surface and vibrational energy levels of HXeI

Journal of Molecular Structure: THEOCHEM
2008-10 | Journal article
DOI: 10.1016/j.theochem.2008.07.030
Contributors: Zhengguo Huang; EnCui Yang; Daiqian Xie
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ChemInform Abstract: An ab initio Potential Energy Surface and Vibrational Energy Levels of HXeBr.

ChemInform
2008-09 | Journal article
DOI: 10.1002/chin.200838001
Contributors: Zheng Guo Huang; En Cui Yang; Dai Qian Xie
Source: Self-asserted source
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An ab initio potential energy surface and vibrational energy levels of HXeBr

Chinese Chemical Letters
2008-05 | Journal article
DOI: 10.1016/j.cclet.2008.03.019
Contributors: Zheng Guo Huang; En Cui Yang; Dai Qian Xie
Source: Self-asserted source
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Theoretical study on the potential energy surface and vibrational energy levels of HXeI

Chinese Chemical Letters
2008-04 | Journal article
DOI: 10.1016/j.cclet.2008.01.041
Contributors: Zheng Guo Huang; En Cui Yang; Dai Qian Xie
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Theoretical studies on the potential energy surfaces and vibrational energy levels of HXeF and HXeCl

Science in China Series B: Chemistry
2007-02 | Journal article
DOI: 10.1007/s11426-007-0006-z
Contributors: ZhengGuo Huang; DaiQian Xie; Hua Zhu
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Matrix Isolation Infrared Spectroscopic and Density Functional Theoretical Studies of the Reactions of Scandium Atoms with Methanol

J. Phys. Chem. A
2004-07 | Journal article
DOI: 10.1021/jp048348u
Contributors: Mohua Chen; Zhengguo Huang; Mingfei Zhou
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Matrix Isolation Infrared Spectroscopic and Theoretical Study of the Reactions of Beryllium Atoms with Methanol

J. Phys. Chem. A
2004-04 | Journal article
DOI: 10.1021/jp038028v
Contributors: Zhengguo Huang; Mohua Chen; Mingfei Zhou
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Matrix isolation infrared spectroscopic and theoretical study of the transition metal (Mn and Fe) dioxide–ethylene complexes

Chemical Physics Letters
2004-01 | Journal article
DOI: 10.1016/j.cplett.2003.12.002
Contributors: Mohua Chen; Zhengguo Huang; Mingfei Zhou
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Matrix Isolation FTIR Spectroscopic and Density Functional Theoretical Studies of the Reactions of Magnesium Atoms with Methanol

J. Phys. Chem. A
2003 | Journal article
DOI: 10.1021/jp035652z
Contributors: Zhengguo Huang; Mohua Chen; Qingnan Liu; Mingfei Zhou
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Matrix Isolation Fourier Transform Infrared Spectroscopic and Density Functional Theoretical Studies of the Reactions of Chromium Atoms and Acetylene

J. Phys. Chem. A
2003-04 | Journal article
DOI: 10.1021/jp022092f
Contributors: Zhengguo Huang; Aihua Zeng; Jian Dong; Mingfei Zhou
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Peer review (3 reviews for 2 publications/grants)

Review activity for ACS omega. (2)
Review activity for The journal of physical chemistry. (1)
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