近期论文

Structures, vibrational frequencies, topologies and energies of hydrogen bonds in cysteine-formaldehyde complexes Lei YU, YuHua WANG, ZhengGuo HUANG*, HongKe WANG, YuMei DAI, Int. J. Quant. Chem. 2011, (accepted).
Microsolvation effect and hydrogen-bonding pattern of the taurine-water TA-(H2O)n (n=1-3) complexes YuMei DAI, YuHua WANG, ZhengGuo HUANG*, HongKe WANG, Lei YU, J. Mol. Model., 2011, (accepted). DOI: 10.1007/s00894-011-1070-z.
Microsolvation of Aminoethanol: a study using DFT combined with QTAIM ZhengGuo HUANG*, YuMei DAI, Lei YU, HongKe WANG, J. Mol. Model., 2011, DOI: 10.1007/s00894-011-0973-z.
Hydrogen bonding interactions in noradrenaline-DMSO complexes: DFT and QTAIM studies of structure, properties and topology ZhengGuo HUANG*, YuMei DAI, Lei YU, HongKe WANG, J. Mol. Model., 2011, DOI: 10.1007/s00894-011-0956-0.
Density Functional Theory and Topological Analysis on the Hydrogen Bonding Interactions in Cysteine-Thymine Complexes ZhengGuo HUANG*, Lei YU, YuMei DAI, Int. J. Quant. Chem. 2011, DOI: 10.1002/qua.22772.
Hydrogen bonding interactions between N,N-Dimethylformamide and cysteine: DFT studies of structures, properties and topologies ZhengGuo HUANG*, Lei YU, YuMei DAI, HongKe WANG, Struct. Chem. 2011, 22(1), 57-65. DOI : 10.1007/s11224-010-9689-4.
Hydrogen bonding interactions in cysteine-urea complexes: theoretical studies of structures, properties and topologies ZhengGuo HUANG*, Lei YU, YuMei DAI, HongKe WANG, J. Mol. Struct. Theochem. 2010, 960(1-3), 98-105. DOI:10.1016/j.theochem.2010.08.029.
Density Functional Theory and Topological Analysis on the Hydrogen Bonds in Cysteine-Propanoic acid Complexes ZhengGuo HUANG*, Lei YU, YuMei DAI, Struct. Chem. 2010, 21(4), 855-862. DOI: 10.1007/s11224-010-9620-z.
Density Functional Theory and Topological Analysis on the Hydrogen Bonding Interactions in N-protonated adrenaline - DMSO Complexes ZhengGuo HUANG*, YuMei DAI, Lei YU, Struct. Chem. 2010, 21(4), 863-872. DOI: 10.1007/s11224-010-9621-y.
Combined DFT with NBO and QTAIM studies on the hydrogen bonds in (CH3OH)n (n= 2–8) clusters ZhengGuo HUANG*, Lei YU, YuMei DAI, Struct. Chem. 2010, 21(3), 565-572. DOI: 10.1007/s11224-010-9588-8.
An Ab Initio Potential Energy Surface and Vibrational Energy Levels of ZnH2 ZhengGuo HUANG*, Lei YU, YuMei DAI, J. Compt. Chem. 2010, 31(5), 986-993. DOI: 10.1002/jcc.21384.
Theoretical Studies on the Potential Energy Surface and Vibrational Energy Levels of HXeBr ZhengGuo HUANG*, EnCui YANG, DaiQian XIE, Chin. J. Struct. Chem. 2009, 28(5), 569-576
An ab initio potential energy surface and vibrational energy levels of HXeO ZhengGuo HUANG*, Chem. Phys. 2009, 359(1-3), 34-39. DOI: 10.1016/j.chemphys.2009.03.002.
Ab initio与密度泛函理论研究BeC3异构体的结构与稳定性 黄正国*，周利，徐梅芳，天津师范大学学报（自然科学版），2008，28(4), 1-5
A density functional theoretical studies on the structures and aromaticities of (CH)n(BCO)6-n (n=0~6) ZhengGuo HUANG*, Li ZHOU, EnCui YANG, Chin. Chem. Lett. 2008, 19(11), 1383-1386. DOI: 10.1016/j.cclet.2008.07.025.
An ab initio potential energy surface and vibrational energy levels of HXeI ZhengGuo HUANG*, EnCui YANG, DaiQian XIE, J. Mol. Struct. Theochem. 2008, 867, 95-100. DOI: 10.1016/j.theochem.2008.07.030.
Theoretical studies on the potential energy surfaces and vibrational energy levels of HXeI ZhengGuo HUANG*, EnCui YANG, DaiQian XIE, Chin. Chem. Lett. 2008, 19(5), 501-504. DOI: 10.1016/j.cclet.2008.01.041.
An ab initio potential energy surface and vibrational energy levels of HXeBr ZhengGuo HUANG*, EnCui YANG, DaiQian XIE, Chin. Chem. Lett. 2008, 19(6), 627-630. DOI: 10.1016/j.cclet.2008.03.019.