Ju-Guang Han: search on Z-Library

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1

Geometries, electronic and magnetic properties of hafnium clusters: A density functional calculation

Run-Ning Zhao, Ju-Guang Han, Liu-Si Sheng

Journal:

Thin Solid Films

Year:

2012

Language:

english

File:

PDF, 610 KB

english, 2012

2

Density Functional theory investigations on the geometrical and electronic properties and growth patterns of Sin (n=10–20) clusters with bimetal Pd2 impurities

Zhao, Run-Ning, Han, Ju-Guang, Duan, Yuhua

Journal:

Thin Solid Films

Year:

2014

Language:

english

File:

PDF, 1.32 MB

english, 2014

3

Insights into resistance mechanism of the macrolide biosensor protein MphR(A) binding to macrolide antibiotic erythromycin by molecular dynamics simulation

Feng, Tingting, Zhang, Yanjun, Ding, Jing-Na, Fan, Song, Han, Ju-Guang

Journal:

Journal of Computer-Aided Molecular Design

Year:

2015

Language:

english

File:

PDF, 4.21 MB

english, 2015

4

The medium-sized charged (n = 7–13) clusters: A relativistic computational investigation

Run-Ning Zhao, Ju-Guang Han, Jin-Tao Bai, Liu-Si Sheng

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 553 KB

english, 2010

5

A computational investigation of the Ni-doped Sin(n=1−8) clusters by a density functional method

Zhao-Yu Ren, Feng Li, Ping Guo, Ju-Guang Han

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 162 KB

english, 2005

6

Relativistic Computational Investigation: The Geometries and Electronic Properties of TaSi n + ( n = 1−13, 16) Clusters

Guo, Ping, Ren, Zhao-Yu, Yang, A-Ping, Han, Ju-Guang, Bian, Jiang, Wang, Guang-Hou

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 688 KB

english, 2006

7

A density functional investigation of AgSin (n=1−5) clusters

Peng-Fei Zhang, Ju-Guang Han, Qi-Rong Pu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 151 KB

english, 2003

8

Geometries, stabilities, and electronic properties of different-sized ZrSi[sub n] (n=1–16) clusters: A density-functional investigation

Wang, Jin, Han, Ju-Guang

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1.37 MB

english, 2005

9

-doped boron clusters: A computational investigation

Zhao, Run-Ning, Yuan, Yanhong, Han, Ju-Guang

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

10

Geometries and Stabilities of Re-Doped Si n ( n = 1−12) Clusters: A Density Functional Investigation

Han, Ju-Guang, Ren, Zhao-Yu, Lu, Ben-Zuo

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 156 KB

english, 2004

11

Geometries and Electronic Properties of Transition Metal Hafnium-Doped Boron Clusters: A Computational Investigation

Zhao, Run-Ning, Yuan, Yanhong, Han, Ju-Guang

Journal:

Polycyclic Aromatic Compounds

Year:

2015

Language:

english

File:

PDF, 1.00 MB

english, 2015

12

Geometries, stabilities and electronic properties of photo sensitized (CdS) 2n (n=5–27) nanoclusters

Zhao, Run-Ning, Chen, Rui, Li, Qing, Duan, Yuhua, Han, Ju-Guang

Journal:

Journal of Alloys and Compounds

Year:

2018

Language:

english

File:

PDF, 1.48 MB

english, 2018

13

A computational investigation on GenCl− and GenCl (n = 1–6) clusters by density functional methods

Ju-Guang Han, Zhao-Yu Ren, Yun-Wu Zhang

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 354 KB

english, 2004

14

Geometries and Electronic Properties of the Neutral and Charged Rare Earth Yb-Doped Si n ( n = 1−6) Clusters: A Relativistic Density Functional Investigation

Zhao, Run-Ning, Ren, Zhao-Yu, Guo, Ping, Bai, Jin-Tao, Zhang, Chong-Hui, Han, Ju-Guang

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 376 KB

english, 2006

15

Probing Ligand-Binding Modes and Binding Mechanisms of Benzoxazole-Based Amide Inhibitors with Soluble Epoxide Hydrolase by Molecular Docking and Molecular Dynamics Simulation

Chen, Hang, Zhang, Ying, Li, Liang, Han, Ju-Guang

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 3.19 MB

english, 2012

16

Geometrical stabilities and electronic properties of Si n (n = 12–20) clusters with rare earth holmium impurity: a density functional investigation

Zhao, Run-Ning, Han, Ju-Guang

Journal:

Year:

2014

Language:

english

File:

PDF, 647 KB

english, 2014

17

A computational investigation of copper-doped germanium and germanium clusters by the density-functional theory

Wang, Jin, Han, Ju-Guang

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 900 KB

english, 2005

18

A density functional investigation of MoSin (n=1–6) clusters

Ju-Guang Han, Frank Hagelberg

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 318 KB

english, 2001

19

Studies on the binding modes of Lassa nucleoprotein complexed with m7GpppG and dTTP by molecular dynamic simulations and free energy calculations

Li, Liang, Li, Dan, Chen, Hang, Han, Ju-Guang

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

20

The formation of new silicon cages: a semiempirical theoretical investigation

Ju-Guang Han, Zhao-Yu Ren, Liu-Si Sheng, Yun-Wu Zhang, Jorge A. Morales, Frank Hagelberg

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 262 KB

english, 2003

21

An all-atom molecular dynamics study of the anti-interferon signaling of Ebola virus: interaction mechanisms of EBOV VP24 binding to Karyopherin alpha5

Ding, Jing-Na, Zhang, Yan-Jun, Zhong, Hui, Ao, Cheng-Cheng, Li, Jing, Han, Ju-Guang

Journal:

Molecular BioSystems

Year:

2017

Language:

english

File:

PDF, 8.30 MB

english, 2017

22

A computational study on geometries, electronic structures and ionization potentials of MSi15 (M=Cr, Mo, W) clusters by density functional method

Ju-Guang Han, Yun-Yu Shi

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 95 KB

english, 2001

23

A density functional theory investigation of CrSin (n=1–6) clusters

Ju-Guang Han, Frank Hagelberg

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 131 KB

english, 2001

24

A theoretical investigation of GenSn (n=1–4) clusters

Ju-Guang Han, Peng-Fei Zhang, Qun-Xiang Li, Hui Gao, Gen-Yu Cao, Liu-Si Sheng, Yun-Wu Zhang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

25

A theoretical investigation on electronic properties and stability of IrSix (x=1–6) clusters

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 194 KB

english, 2003

26

Geometries and Electronic Properties of the Tungsten-Doped Germanium Clusters: WGe n ( n = 1−17)

Wang, Jin, Han, Ju-Guang

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 325 KB

english, 2006

27

The growth behaviors of the Zn-doped different sized germanium clusters: A density functional investigation

Jin Wang, Ju-Guang Han

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 636 KB

english, 2007

28

A computational study on electronic structures of GenF− and GenF (n=3–6) clusters by density functional theory

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 112 KB

english, 2000

29

Geometric and Electronic Structure of WSiN(N= 1–6, 12) Clusters

Ju-Guang Han, Chuanyun Xiao, Frank Hagelberg

Journal:

Structural Chemistry

Year:

2002

Language:

english

File:

PDF, 6.06 MB

english, 2002

30

Geometries and Stabilities of the Carbon Clusters with the Rhodium Impurity: A Computational Investigation

Jia, Li-Chao, Zhao, Run-Ning, Han, Ju-Guang, Sheng, Liu-Si, Cai, Wei-Ping

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 200 KB

english, 2008

31

Exploration micromechanism of VP35 IID interaction and recognition dsRNA: A molecular dynamics simulation

Zhang, Yan-Jun, Ding, Jing-Na, Zhong, Hui, Han, Ju-Guang

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2017

Language:

english

File:

PDF, 3.71 MB

english, 2017

32

Sphere-like Eu12 and (EuX)12 (X=N,O, and S) clusters with ultrahigh magnetic moments

Zhao, Run-Ning, Chen, Rui, Duan, Yuhua, Han, Ju-Guang

Journal:

Journal of Alloys and Compounds

Year:

2020

Language:

english

File:

PDF, 1.06 MB

english, 2020

33

A relativistic density functional study of Sin (n = 7–13) clusters with rare earth ytterbium impurity

Run-Ning Zhao, Ju-Guang Han, Jin-Tao Bai, Fu-Yi Liu, Liu-Si Sheng

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 464 KB

english, 2010

34

Structural and electronic properties of TaSi[sub n] (n=1–13) clusters: A relativistic density functional investigation

Guo, Ping, Ren, Zhao-Yu, Wang, Fan, Bian, Jiang, Han, Ju-Guang, Wang, Guang-Hou

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 529 KB

english, 2004

35

A Density Functional Investigation on the Actinide Element and Silicon: AnSi (An = Ac–Lr) Diatomic Systems

Zhao, Run-Ning, Yuan, Yanhong, Han, Ju-Guang

Journal:

Journal of Cluster Science

Year:

2015

Language:

english

File:

PDF, 256 KB

english, 2015

36

Geometries, stabilities, and electronic properties of tungsten encapsulated nanosize irregular Bn (n=20, 24, 28, and 32) fullerenes: A density functional investigation

Zhao, Run-Ning, Yuan, Yan-Hong, Han, Ju-Guang, Duan, Yuhua

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 1.18 MB

english, 2016

37

Molecular dynamics exploration of the binding mechanism and properties of single-walled carbon nanotube to WT and mutant VP35 FBP region of Ebola virus

Zhang, Yan-Jun, Ding, Jing-Na, Zhong, Hui, Sun, Chang-Ping, Han, Ju-Guang

Journal:

Journal of Biological Physics

Year:

2017

Language:

english

File:

PDF, 2.77 MB

english, 2017

38

A theoretical investigation on the clusters by density functional theory methods

Ju-Guang Han, Jorge A. Morales

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 168 KB

english, 2005

39

Insights into the structural function of the complex of HIV-1 protease with TMC-126: molecular dynamics simulations and free-energy calculations

Dan Li, Ju-Guang Han, Hang Chen, Liang Li, Run-Ning Zhao, Guang Liu, Yuhua Duan

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 422 KB

english, 2012

40

A Theoretical Study on Growth Patterns of Ni-Doped Germanium Clusters

Wang, Jin, Han, Ju-Guang

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 607 KB

english, 2006

41

Geometries, Stabilities, and Growth Patterns of the Bimetal Mo 2 -doped Si n ( n = 9−16) Clusters: A Density Functional Investigation

Han, Ju-Guang, Zhao, Run-Ning, Duan, Yuhua

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 319 KB

english, 2007

42

The Binding Mechanism of a Novel Nicotinamide Isostere Inhibiting with TNKSs: A Molecular Dynamic Simulation and binding free energy calculation

Feng, Ting-Ting, Zhang, Yan-Jun, Chen, H, Fan, Song, Han, Ju-Guang

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2015

Language:

english

File:

PDF, 1.85 MB

english, 2015

43

Photoionization study of L-valine in the gas phase by vacuum ultraviolet synchrotron radiation

Zhou, Shaohui, Chu, Genbai, Cao, Lanlan, Shan, Xiaobin, Liu, Fuyi, Han, Ju-Guang, Sheng, Liusi

Journal:

European Journal of Mass Spectrometry

Year:

2011

Language:

english

File:

PDF, 1.71 MB

english, 2011

44

A simulation investigation on interaction mechanism between Ebola nucleoprotein and VP35 peptide

Ding, Jing-Na, Zhang, Yan-Jun, Zhong, Hui, Ao, Cheng-Cheng, Han, Ju-Guang

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2017

Language:

english

File:

PDF, 4.29 MB

english, 2017

45

Sphere-like Eu12 and (EuX)12 (X=N,O, and S) clusters with ultrahigh magnetic moments

Zhao, Run-Ning, Chen, Rui, Duan, Yuhua, Han, Ju-Guang

Journal:

Journal of Alloys and Compounds

Year:

2020

File:

PDF, 1.06 MB

2020

46

The investigations on HIV-1 gp120 bound with BMS-488043 by using docking and molecular dynamics simulations

Liang Li, Hang Chen, Run-Ning Zhao, Ju-Guang Han

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

47

Recent progress in the computational study of transition metal doped Si clusters

Han, Ju-Guang, Hagelberg, Frank

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 109 KB

english, 2005

48

A density functional computational investigation on electronic properties of the stable irregular boron fullerenes with 20-56 atoms

Zhao, Run-Ning, Chen, Rui, Gu, Fan, Yuan, Yan-Hong, Han, Ju-Guang

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 710 KB

english, 2016

49

Computational investigation on the structures and electronic properties of the nanosized rhenium clusters

Zhao, Run-Ning, Chen, Rui, Yuan, Yan-Hong, Han, Ju-Guang, Duan, Yuhua

Journal:

Solid State Ionics

Year:

2017

Language:

english

File:

PDF, 1.28 MB

english, 2017

50

A theoretical study of the geometries, and electronic and surface properties of sphere-like (SiB) 2n ( n = 6–27, 30) functional nanomaterials

Zhao, Run-Ning, Lu, Zi-Chen, Chen, Rui, Han, Ju-Guang

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 4.50 MB

2019

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