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1

Theoretical Determinations of Ionization Potential and Electron Affinity of Glycinamide Using Density Functional Theory

Li, Ping, Bu, Yuxiang, Ai, Hongqi

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 860 KB

english, 2004

2

Trigraphene and its Derivates: A Novel Carbon Allotrope

Kang, Baotao, Yuan, Yuan, Wu, Si, Ai, Hongqi, Kang, Sunwoo, Lee, Jin Yong

Journal:

Bulletin of the Korean Chemical Society

Year:

2018

Language:

english

File:

PDF, 457 KB

english, 2018

3

The Hygroscopy of Amino Acid Ionic Liquids in Aqueous Solution: a Quantum Chemistry Study

Zhu, Xueying, Ai, Hongqi

Journal:

Zeitschrift für Physikalische Chemie

Year:

2016

Language:

english

File:

PDF, 892 KB

english, 2016

4

Research on regulating technique of material flow for 2-person and 30-day integrated CELSS test

Guo, Shuangsheng, Dong, Wenping, Ai, Weidang, Feng, Hongqi, Tang, Yongkang, Huang, Zhide, Shen, Yunze, Ren, Jin, Qin, Lifeng, Zeng, Gu, Zhang, Lihong, Zhu, Jingtao, Fei, Jinxue, Xu, Guoxin

Journal:

Acta Astronautica

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

5

Folding dynamics of AÎ²42 monomer in pH=4.0-7.5 with/without physiological salt condition - either Î²1 or Î²2 region folds first?

Xing, Xiaofeng, Liu, Chengqiang, Yang, Huijuan, Nouman, Muhammad Fahad, Ai, Hongqi

Journal:

New Journal of Chemistry

Year:

2020

File:

PDF, 2.14 MB

2020

6

A theoretical prediction on the ground-state complexes bound by metal ions to thymine base isomers

Jinpeng Chen, Hongqi Ai, Yongping Zhao, Jingjing Liu

Journal:

Journal of Physical Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 319 KB

english, 2012

7

Hβ Doppler-velocity fields within sites of flares in a solar active region

Wei Li, Guoxiang Ai, Hongqi Zhang

Journal:

Year:

1996

Language:

english

File:

PDF, 1.10 MB

english, 1996

8

Marked Increments of Stability and Proton Affinity of the Protonated, Zwitterionic Glycine Induced by the Attachment of Two Excess Electrons

Ai, Hongqi, Bu, Yuxiang, Li, Ping, Sun, Lixiang

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 114 KB

english, 2004

9

Synergism of pentaerythritol-zinc with β-diketone and calcium stearate in poly(vinyl chloride) thermal stability

Li, Degang, Zhou, Min, Xie, Linghua, Yu, Xianjin, Yu, Yuanzhang, Ai, Hongqi, Tang, Shouyu

Journal:

Polymer Journal

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

10

Relationship between magnetic field evolution and flaring sites in AR 6659 on June 1991

B. Schmieder, P. Démoulin, M. Hagyard, M.E. Machado, Guo Xiang Ai, Hongqi Zhang, Qijun Fu, Zhi Kai Li, Ti Luan, B. Kalman, L. Györi

Journal:

Advances in Space Research

Year:

1993

Language:

english

File:

PDF, 450 KB

english, 1993

11

Theoretical investigation of glycine–2Be[sup n+] (n=0,1,2) complexes in gas phase: Origin of negative dissociation energies

Ai, Hongqi, Bu, Yuxiang, Chen, Zhida

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 862 KB

english, 2003

12

Synergistic effect of acetonedicarboxylic acid diethyl ester and calcium/zinc stearates on poly(vinyl chloride) thermal stability

Li, Degang, Xie, Linghua, Zhang, Jun, Yu, Xianjin, Yu, Yuanzhang, Ai, Hongqi, Tang, Shouyu

Journal:

Journal of Vinyl and Additive Technology

Year:

2015

Language:

english

File:

PDF, 504 KB

english, 2015

13

Synergy of sp-N and sp2-N Codoping Endows Graphdiyne with Comparable Oxygen Reduction Reaction Performance to Pt

Kang, Baotao, Wu, Si, Ma, Jiapeng, Ai, Hongqi, Lee, Jin Yong

Journal:

Year:

2019

File:

PDF, 1.70 MB

2019

14

Reservation Energy Bonds and Structural Stability of Series of Multihydrated ( n H2O = 1−10) Glycine−H + M + (M = Li, Na, or K) Complexes

Ai, Hongqi, Bu, Yuxiang

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 637 KB

english, 2004

15

Double Proton Transfer and One-Electron Oxidation Behaviors in Double H-Bonded Glycinamide−Formamidine Complex and Comparison with Biological Base Pair

Li, Ping, Bu, Yuxiang, Ai, Hongqi, Yan, Shihai, Han, Keli

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 187 KB

english, 2004

16

Time-Dependent Structural Transitions in Ternary Mixture of TTAB/PBSS/TX-100

Yu, Jiemei, Sang, Huanxin, Sun, Dejun, Huang, Taizhong, Ai, Hongqi, Zhai, Limin

Journal:

Year:

2014

Language:

english

File:

PDF, 797 KB

english, 2014

17

N-Terminus Binding Preference for Either Tanshinone or Analogue in Both Inhibition of Amyloid Aggregation and Disaggregation of Preformed Amyloid Fibrils—Toward Introducing a Kind of Novel Anti-Alzheimer Compounds

Dong, Mingyan, Zhao, Wei, Hu, Dingkun, Ai, Hongqi, Kang, Baotao

Journal:

ACS Chemical Neuroscience

Year:

2017

Language:

english

File:

PDF, 2.12 MB

english, 2017

18

Structures and positive binding energies of glycine–2Li+ in the gas phase: a theoretical study on optimal reaction pathway and proton transfer induced by two lithium cations

Hongqi Ai, Yuxiang Bu, Ping Li, Zhida Chen, Xiangqian Hu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 708 KB

english, 2004

19

Evolution of magnetic fields and mass flow in a decaying active region

Hongqi Zhang, Guoxiang AI, Haimin Wang, Harold Zirin, Alan Patterson

Journal:

Year:

1992

Language:

english

File:

PDF, 1.20 MB

english, 1992

20

The peptide-chain size dependence of positive dissociation energy effect in metallized and protonated polydentate oligoglycine peptides

Ai, Hongqi, Bu, Yuxiang, Li, Ping, Yan, Shihai

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 334 KB

english, 2005

21

The Coupling Character of Ca 2+ with Glutamic Acid: Implication for the Conformational Behavior and Transformation of Ca 2+ -ATPase in Transmembrane Ca 2+ Channel

Xiang, Feng, Bu, Yuxiang, Ai, Hongqi, Li, Ping

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 666 KB

english, 2004

22

Concerted transfer and transfer direction of three protons in the protonated amino-acid dimers

Hongqi Ai, Qiang Li

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 1.12 MB

english, 2006

23

Effect of the methylation of uracil and/or glycine on their mutual interaction

Hongqi Ai, Dejie Li, Yongping Zhao, Chong Zhang, Qiang Li, Jijun Feng

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 517 KB

english, 2012

24

The binding site dependence of binding energy in both metalated and protonated diglycine and triglycine peptides

Hongqi Ai, Yun Li, Chong Zhang, Jijun Feng

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 751 KB

english, 2007

25

Density Functional Studies on Conformational Behaviors of Glycinamide in Solution

Li, Ping, Bu, Yuxiang, Ai, Hongqi

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 314 KB

english, 2004

26

Intramolecular proton transfer induced by divalent alkali earth metal cation in the gas state

Hongqi Ai, Yuxiang Bu, Ping Li

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 669 KB

english, 2003

27

Isothermal Titration Calorimetry and Theoretical Studies on Host-guest Interaction of Ibuprofen withα-,β- andγ-Cyclodextrin

Shengkai Xing, Qian Zhang, Chong Zhang, Qiang Zhao, Hongqi Ai, Dezhi Sun

Journal:

Journal of Solution Chemistry

Year:

2009

Language:

english

File:

PDF, 663 KB

english, 2009

28

Glycine-Zn[sup +]/Zn[sup 2+] and their hydrates: On the number of water molecules necessary to stabilize the switterionic glycine-Zn[sup +]/Zn[sup 2+] over the nonzwitterionic ones

Ai, Hongqi, Bu, Yuxiang, Han, Keli

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 1.12 MB

english, 2003

29

Catalysis Effects of Water Molecules and of Charge on Intramolecular Proton Transfer of Uracil

Li, Dejie, Ai, Hongqi

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.70 MB

english, 2009

30

Acid−Base Behavior Study of Glycinamide Using Density Functional Theory

Li, Ping, Bu, Yuxiang, Ai, Hongqi, Cao, Zhaohua

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 359 KB

english, 2004

31

Molecular Simulations of Human and Mouse Aβ 1-16 at Different pH Values: Structural Characteristics toward Understanding Cu 2+ -Coordinated Amyloid Beta Spheres

Zhang, Ran, Ai, Hongqi, Zhu, Xueying, Li, Qiang

Journal:

Year:

2016

Language:

english

File:

PDF, 2.21 MB

english, 2016

32

Bead-level characterization of early-stage amyloid β42 aggregates: nuclei and ionic concentration effects

Hu, Dingkun, Zhao, Wei, Zhu, Yong, Ai, Hongqi, Kang, Baotao

Journal:

Chemistry - A European Journal

Year:

2017

Language:

english

File:

PDF, 2.84 MB

english, 2017

33

The Longer Term Evolution of Magnetic Field and Mass Flow in a Decaying Active Region

Zhang, Hongqi, Ai, Guoxiang, Wang, Haimin, Zirin, Harold, Patterson, Alan

Journal:

International Astronomical Union Colloquium

Year:

1991

File:

PDF, 261 KB

1991

34

Solvation counteracts coulombic repulsion in the binding of two cations to a model hexapeptide

Hongqi Ai, Chong Zhang, Wei He, Kwaichow Chan, Qiang Li

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 508 KB

english, 2012

35

Theoretical Insights into the Interaction Mechanism between Proteins and SWCNTs: Adsorptions of Tripeptides GXG on SWCNTs

Wang, Yixuan, Ai, Hongqi

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.48 MB

english, 2009

36

Water-Assisting Proton Transfer Isomerization of the HNO/HON System in the Singlet State: On the Number of the Effective Water Molecules

Li, Zhiqiang, Bu, Yuxiang, Ai, Hongqi

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 312 KB

english, 2004

37

Signature of quantum Griffiths singularity state in a layered quasi-one-dimensional superconductor

Zhang, Enze, Zhi, Jinhua, Zou, Yi-Chao, Ye, Zefang, Ai, Linfeng, Shi, Jiacheng, Huang, Ce, Liu, Shanshan, Lin, Zehao, Zheng, Xinyuan, Kang, Ning, Xu, Hongqi, Wang, Wei, He, Liang, Zou, Jin, Liu, Jinyu

Journal:

Nature Communications

Year:

2018

Language:

english

File:

PDF, 1.73 MB

english, 2018

38

Positive effect of strong acidity on the twist of Aβ 42 fibrils and the counteraction of Aβ 42 N-terminus

Zhao, Wei, Xing, Xiaofeng, Kang, Baotao, Zhu, Xueying, Ai, Hongqi

Journal:

Journal of Molecular Graphics and Modelling

Year:

2018

Language:

english

File:

PDF, 1.01 MB

english, 2018

39

Geometry and binding properties of different multiple-state glycine–Fe+/Fe2+ complexes

Hongqi Ai, Yuxiang Bu, Ping Li, Zhiqiang Li, Xiangquan Hu, Zhida Chen

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 179 KB

english, 2005

40

Relationship between magnetic field evolution and flaring sites in AR 6659 in June 1991

B. Schmieder, M. J. Hagyard, Guoxiang Ai, Hongqi Zhang, B. Kalmán, L. Györi, B. Rompolt, P. Démoulin, M. E. Machado

Journal:

Year:

1994

Language:

english

File:

PDF, 2.98 MB

english, 1994

41

Cobalt@nitrogen-doped bamboo-structured carbon nanotube to boost photocatalytic hydrogen evolution on carbon nitride

Liu, Qiuxia, Zeng, Chunmei, Xie, Zhihui, Ai, Lunhong, Liu, Yaoyao, Zhou, Qin, Jiang, Jing, Sun, Hongqi, Wang, Shaobin

Journal:

Applied Catalysis B: Environmental

Year:

2019

Language:

english

File:

PDF, 2.18 MB

english, 2019

42

Novel Disassembly Mechanisms of Sigmoid Aβ42 Protofibrils by Introduced Neutral and Charged Drug Molecules

Xing, Xiaofeng, Liu, Chengqiang, Ali, Aqsa, Kang, Baotao, Li, Ping, Ai, Hongqi

Journal:

ACS Chemical Neuroscience

Year:

2019

Language:

english

File:

PDF, 1.14 MB

english, 2019

43

Fine structures of chromospheric magnetic field and material flow in a solar active region

Hongqi Zhang, Guoxiang Ai, T. Sakurai, H. Kurokawa

Journal:

Year:

1991

Language:

english

File:

PDF, 5.38 MB

english, 1991

44

Dependence of Positive Binding Energies on Side ChainsA Theoretical Prediction on the Origin of Regular Ordering for the Amino Acid Residues in the Selectivity Filter

Ai, Hongqi, Zhang, Chong, Li, Yun, Zhang, Liang, Li, Fang

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 293 KB

english, 2007

45

Conformational Study of Glycine Amide Using Density Functional Theory

Li, Ping, Bu, Yuxiang, Ai, Hongqi

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 129 KB

english, 2003

46

Electronic Enhancement Effect of Copper Modification of Base Pairs on the Conductivity of DNA

Liu, Haiying, Li, Genqin, Ai, Hongqi, Li, Jilai, Bu, Yuxiang

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.47 MB

english, 2011

47

Hydrates of the most stable gas-phase mono- and di-protonated glycine derivatives: Origin of no reservation energy bond in glycine-2H[sup 2+]

Ai, Hongqi, Bu, Yuxiang

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 401 KB

english, 2004

48

A Molecular Dynamic Study on the Inhibition Mechanisms of Drugs CQ 1-3 to the Alzheimer Aβ 40 Aggregation induced by Cu 2+

Dong, Mingyan, Li, Haoyue, Hu, Dingkun, Zhao, Wei, Zhu, Xueying, Ai, Hongqi

Journal:

ACS Chemical Neuroscience

Year:

2016

Language:

english

File:

PDF, 2.24 MB

english, 2016

49

Single-atom vacancy induced changes in electronic and magnetic properties of graphyne

Kang, Baotao, Ai, Hongqi, Lee, Jin Yong

Journal:

Year:

2017

Language:

english

File:

PDF, 2.53 MB

english, 2017

50

Micro Galvanic Cell To Generate PtO and Extend the Triple-Phase Boundary during Self-Assembly of Pt/C and Nafion for Catalyst Layers of PEMFC

Long, Zhi, Gao, Liqin, Li, Yankai, Kang, Baotao, Lee, Jin Yong, Ge, Junjie, Liu, Changpeng, Ma, Shuhua, Jin, Zhao, Ai, Hongqi

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 3.02 MB

english, 2017

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