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1

Substituent effects on the intramolecular hydrogen bond in 1-hydroxyanthraquinone: AIM and NBO analyses

Li, Xiaoyan, Wang, Ying, Zheng, Shijun, Meng, Lingpeng

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 378 KB

english, 2012

2

A multi-stage stochastic programming model for relief distribution considering the state of road network

Hu, Shaolong, Han, Chuanfeng, Dong, Zhijie Sasha, Meng, Lingpeng

Journal:

Transportation Research Part B: Methodological

Year:

2019

Language:

english

File:

PDF, 1.14 MB

english, 2019

3

Airflow disturbance induced by coal mine outburst shock waves: A case study of a gas outburst disaster in China

Zhou, Aitao, Zhang, Meng, Wang, Kai, Elsworth, Derek, Wang, Jiawen, Fan, Lingpeng

Journal:

International Journal of Rock Mechanics and Mining Sciences

Year:

2020

File:

PDF, 2.08 MB

2020

4

Stereoselectivity and nonmigratory insertion mechanism of dimethylacetylene dicarboxylate into metalloceneâhydride of Cp 2 M(L)H [Cp = Î· 5 âC 5 H 5 ; M = Nb, V; L = CO, P (OMe) 3 ]: A DFT study

Huo, Suhong, Li, Xiaoyan, Zeng, Yanli, Meng, Lingpeng

Journal:

Applied Organometallic Chemistry

Year:

2020

File:

PDF, 2.50 MB

2020

5

Insight into the halogen-bonding interactions in the C6F5XÂ·Â·Â·ZH3 (X = Cl, Br, I; Z = N, P, As) and C6F5IÂ·Â·Â·Z (Ph)3 (Z = N, P, As) complexes

Ping, Naying, Zhang, Huaiyu, Meng, Lingpeng, Zeng, Yanli

Journal:

Structural Chemistry

Year:

2020

File:

PDF, 1.06 MB

2020

6

Topological studies on IRC paths of X+H2?XH+H reactions

Zheng, Shijun, Meng, Lingpeng, Cai, Xinhua, Xu, Zhenfeng, Fu, Xiaoyuan

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 270 KB

english, 1997

7

The CH3CH2N: Diradical: Generation Conditions and Determination of its Ionization Energies

Xiaojun Yang, Zheng Sun, Maofa Ge, Shijun Zheng, Lingpeng Meng, Dianxun Wang

Journal:

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

8

Reaction of AgN3 with SOCl2: Evidence for the Formation of Thionyl Azide, SO(N3)2.

Zeng Xiaoqing, Liu Fengyi, Sun Qiao, Ge Maofa, Zhang Jianping, Ai Xicheng, Meng Lingpeng, Zheng Shijun, Wang Dianxun

Journal:

Year:

2004

File:

PDF, 11 KB

2004

9

Theoretical Studies on the Isomerizations of CH3NO2

Lijuan YANG, Xiaoyan LI, Yanli ZENG, Lingpeng MENG, Shijun ZHENG

Journal:

Chinese Journal of Chemistry

Year:

2009

Language:

english

File:

PDF, 364 KB

english, 2009

10

Isomerizations of CH3SO2: Quantum Chemistry and Topological Study

Xiaoyan Li, Lingpeng Meng, Yanli Zeng, Shijun Zheng

Journal:

Chinese Journal of Chemistry

Year:

2010

Language:

english

File:

PDF, 164 KB

english, 2010

11

AIM and ELF Analyses of Halogen Bonding in NCS:BrCl Complexes

Xiaoyan Li, Jie Sun, Xueying Zhang, Yanli Zeng, Shijun Zheng, Lingpeng Meng

Journal:

Chinese Journal of Chemistry

Year:

2011

Language:

english

File:

PDF, 1.08 MB

english, 2011

12

Theoretical Studies on the Halogen Bond between Propargyl Radical and Dihalogen Molecules

Yanli Zeng, Xiaoyan Li, Xueying Zhang, Lingpeng Meng, Prof. Dr. Shijun Zheng

Journal:

Chinese Journal of Chemistry

Year:

2010

Language:

english

File:

PDF, 284 KB

english, 2010

13

Vacuum Preparation and Ionization Energies of FN3 and IN3

Che Huijuan, Bi Huimin, Zeng Yanli, Meng Lingpeng, Zheng Shijun, Chau Foo-tim, Wang Dianxun

Journal:

Year:

2003

Language:

english

File:

PDF, 94 KB

english, 2003

14

A Theoretical Study of the Mechanism and Kinetics of F+N3 Reactions

Haitao Ma, Xiaojun Liu, Wensheng Bian, Lingpeng Meng, Shijun Zheng

Journal:

Year:

2006

Language:

english

File:

PDF, 198 KB

english, 2006

15

The Role of Molecular Electrostatic Potentials in the Formation of a Halogen Bond in Furan⋅⋅⋅XY and Thiophene⋅⋅⋅XY Complexes

Prof. Yanli Zeng, Dr. Xueying Zhang, Dr. Xiaoyan Li, Prof. Lingpeng Meng, Prof. Shijun Zheng

Journal:

Year:

2011

Language:

english

File:

PDF, 526 KB

english, 2011

16

The Role of π Electrons in the Formation of Benzene-Containing Lithium-Bonded Complexes

Prof. Yanli Zeng, Min Zhu, Prof. Lingpeng Meng, Prof. Shijun Zheng

Journal:

Year:

2011

Language:

english

File:

PDF, 1.11 MB

english, 2011

17

A new reaction: vacuum synthesis and characterization of IONO2 and IONO

Shutao Sun, Yanli Zeng, Lingpeng Meng, Shijun Zheng, Dianxun Wang, Daniel Kam-wah Mok, Foo-tim Chau

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2005

Language:

english

File:

PDF, 106 KB

english, 2005

18

First-principles studies of the structures and properties of Al- and Ag-substituted Mg2Ni alloys and their hydrides

Yanli Zeng, Ke Fan, Xiaoyan Li, Baoen Xu, Xiaozhen Gao, Lingpeng Meng

Journal:

International Journal of Hydrogen Energy

Year:

2010

Language:

english

File:

PDF, 1.55 MB

english, 2010

19

First determination of ionization energies of phenylnitrene

Che Huijuan, Bi Huimin, Ding Rui, Wang Dong, Meng Lingpeng, Zheng Shijun, Wang Dianxun, Daniel Kam-Wak Mok, Foo-Tim Chau

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 209 KB

english, 2003

20

Theoretical calculational studies on the mechanism of thermal dissociations for RN3 (R=CH3, CH3CH2, (CH3)2CH, (CH3)3C)

Yanli Zeng, Qiao Sun, Lingpeng Meng, Shijun Zheng, Dianxun Wang

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 676 KB

english, 2004

21

A DFT study of the generation of interstellar species XN (X = Cl, and Br) activated by molecular sieve clusters

Yanli Zeng, Lingpeng Meng, Shijun Zheng, Maofa Ge, Dianxun Wang

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 547 KB

english, 2004

22

A simple method to generate B(N3)3

Fengyi Liu, Xiaoqing Zeng, Jianping Zhang, Lingpeng Meng, Shijun Zheng, Maofa Ge, Dianxun Wang, Daniel Kam Wah Mok, Foo-tim Chau

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 202 KB

english, 2006

23

Photoelectron spectra and electronic structures of some chlorosulfonyl pseudohalides

Liu Fengyi, Zeng Xiaoqing, Wang Weigang, Meng Lingpeng, Zheng Shijun, Ge Maofa, Wang Dianxun

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2006

Language:

english

File:

PDF, 227 KB

english, 2006

24

Studies on the reactions BrNCX→BrXCN (X=O, S, Se)

Yanli Zeng, Lingpeng Meng, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 708 KB

english, 2004

25

On the optical properties of thiophene oligomers: configuration interaction study on their ground (S0) and first singlet excited (S1) states

Fengyi Liu, Ping Zuo, Lingpeng Meng, Shijun J Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 483 KB

english, 2005

26

Density functional studies on a novel double-shell fullerene C20@C60

Fengyi Liu, Lingpeng Meng, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 332 KB

english, 2005

27

Configuration interaction study on the conformational and optical properties of excited furan oligomers

Fengyi Liu, Ping Zuo, Lingpeng Meng, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 410 KB

english, 2005

28

Theoretical studies on the reactions of NO2 with CH3SO, CH3SS, CH3SO2 and CH3S(S)O

Xiaoyan Li, Lingpeng Meng, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 379 KB

english, 2006

29

Theoretical studies on SOx (x = 1–3) formation in the reaction of CH3SO radical with O3

Xiaoyan Li, Lingpeng Meng, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 919 KB

english, 2007

30

AIM studies on SSHX → HSSX (X = F, Cl, Br, I) reaction

Yanli Zeng, Xiaoyan Li, Xueying Zhang, Shijun Zheng, Lingpeng Meng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 305 KB

english, 2008

31

Computational study on the reactions of XO (X = F, Cl and Br) with CH3SO and CH3SO2

Xiaoyan Li, Lingpeng Meng, Zheng Sun, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 696 KB

english, 2008

32

Comparison in the complexes of oxygen-containing σ-electron donor with hydrogen halide and dihalogen molecules

Xueying Zhang, Yanli Zeng, Xiaoyan Li, Lingpeng Meng, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 641 KB

english, 2010

33

HeI photoelectron spectroscopy of the isoproxy (CH3)2CHO radical

Sun Zheng, Zheng Shijun, Meng Lingpeng, Wang Dianxun

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 92 KB

english, 2003

34

B3LYP calculations of the potential energy surfaces of the thermal dissociations and the triplet ground state of pyrolysis products XN(x̃ 3Σ−) for halogen azides XN3 (X: F, Cl, Br, I)

Yanli Zeng, Lingpeng Meng, Shijun Zheng, Dianxun Wang

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 425 KB

english, 2003

35

Theoretical study on two types of weak interactions between methylenecyclopropane and XY (X, Y = H, F, Cl, and Br)

Xiaoyan Li, Lingpeng Meng, Yanli Zeng, Xueying Zhang, Shijun Zheng

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 417 KB

english, 2011

36

Ab initio and AIM studies on typical π-type and pseudo-π-type halogen bonds: Comparison with hydrogen bonds

Yanli Zeng, Xueying Zhang, Xiaoyan Li, Shijun Zheng, Lingpeng Meng

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 822 KB

english, 2011

37

Topological studies on IRC paths of the isomerization reaction of silicon methyl-nitrene

Yanbo Shi, Shijun Zheng, Lingpeng Meng

Journal:

Science China Chemistry

Year:

1999

Language:

english

File:

PDF, 521 KB

english, 1999

38

HeI photoelectron spectroscopic (PES) and quantum chemistry study on the dimeric compound of 2(5H) furanone

Shijun Zheng, Xiaohui Wang, Lingpeng Meng, Xiaoyan Cao, Dianxun Wang

Journal:

Science China Chemistry

Year:

1997

Language:

english

File:

PDF, 358 KB

english, 1997

39

Comparative study on the Al–Al multiple bond in Na2[Arx′AlAlArx′] and H2[Arx′AlAlArx′] (Arx′

Xiaoyan Li, Jie Sun, Lingpeng Meng, Yanli Zeng, Shijun Zheng

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 463 KB

english, 2012

40

Insight into the lithium/hydrogen bonding in (CH2)2X...LiY/HY (X: C=CH2, O, S; Y=F, Cl, Br) complexes

Xiaoyan Li, Yanli Zeng, XueYing Zhang, Shijun Zheng, Lingpeng Meng

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 408 KB

english, 2011

41

Insight into the nature of the interactions of furan and thiophene with hydrogen halides and lithium halides: ab initio and QTAIM studies

Yanli Zeng, Xiaoyan Li, Xueying Zhang, Shijun Zheng, Lingpeng Meng

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 611 KB

english, 2011

42

A computational study on the nature of the halogen bond between sulfides and dihalogen molecules

Xueying Zhang, Yanli Zeng, Xiaoyan Li, Lingpeng Meng, Shijun Zheng

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 631 KB

english, 2011

43

A systematic computational study on the reactions of dimethyl sulfoxide with XO (X = NO2, Cl, Br and I)

Xiaoyan Li, Yanli Zeng, Lingpeng Meng, Shijun Zheng

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 1.16 MB

english, 2008

44

Theoretical Studies on the Hydrogen-bonding and π-Stacking Interactions in the m-Nisoldipine Polymorphism Dimers

Min Zhu, Lingpeng Meng, Shijun Zheng, Jing Wang, Yanli Zeng

Journal:

Chinese Journal of Chemistry

Year:

2012

Language:

english

File:

PDF, 2.61 MB

english, 2012

45

Assessment of intermolecular interactions at three sites of the arylalkyne in phenylacetylene-containing lithium-bonded complexes: Ab initio and QTAIM studies

Yanli Zeng, Min Zhu, Xiaoyan Li, Shijun Zheng, Lingpeng Meng

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.11 MB

english, 2012

46

Nature of the Ga-Ga bonding in Na2[ArxGaGaArx] (Arx* = C6H3-2,6-(C6H5)2): Electron localization function analysis

Jie Sun, LingPeng Meng, ShiJun Zheng, Zheng Sun, XiaoYan Li

Journal:

Science China Chemistry

Year:

2012

Language:

english

File:

PDF, 815 KB

english, 2012

47

Computational studies ofσ-type weak interactions between NCO/NCS radicals and XY(X = H, Cl; Y = F, Cl, and Br)

XiaoYan Li, YanLi Zeng, XueYing Zhang, ShiJun Zheng, LingPeng Meng

Journal:

Science China Chemistry

Year:

2012

Language:

english

File:

PDF, 964 KB

english, 2012

48

Metal–Metal and Metal–Ligand Bonds in (η 5 -C 5 H 5 ) 2 M 2 (M = Be, Mg, Ca, Ni, Cu, Zn)

Li, Xiaoyan, Huo, Suhong, Zeng, Yanli, Sun, Zheng, Zheng, Shijun, Meng, Lingpeng

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 3.02 MB

english, 2013

49

Influence of the Li⋅⋅⋅π Interaction on the H/X⋅⋅⋅π Interactions in HOLi⋅⋅⋅C 6 H 6 ⋅⋅⋅HOX/XOH (X=F, Cl, Br, I) Complexes

Zeng, Yanli, Wu, Wenjie, Li, Xiaoyan, Zheng, Shijun, Meng, Lingpeng

Journal:

Year:

2013

Language:

english

File:

PDF, 778 KB

english, 2013

50

Enhancing Effects of Electron-Withdrawing Groups and Metallic Ions on Halogen Bonding in the YC 6 F 4 X···C 2 H 8 N 2 (X = Cl, Br, I; Y = F, CN, NO 2 , LiNC + , NaNC + ) Complex

Han, Na, Zeng, Yanli, Li, Xiaoyan, Zheng, Shijun, Meng, Lingpeng

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 533 KB

english, 2013

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