Shijun Zheng

发表

Broadband Z-scan characterization using a high-spectral-irradiance, high-quality supercontinuum

S. Barlow, S. Marder, E. W. Stryland, 2008 .

A convenient method for the synthesis of electron-rich phosphonates

S. Barlow, S. Marder, Shijun Zheng, 2003 .

A comprehensive study of short channel effects in organic field-effect transistors

Bernard Kippelen, Seth R. Marder, Joshua N. Haddock, 2006 .

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

Lingpeng Meng, Yanli Zeng, Shijun Zheng, 2011, Journal of molecular modeling.

The role of π electrons in the formation of benzene-containing lithium-bonded complexes.

Shijun Zheng, Yanli Zeng, Lingpeng Meng, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2011 .

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2010 .

Interplay between halogen bonds and hydrogen bonds in OH/SH···HOX···HY (X = Cl, Br; Y = F, Cl, Br) complexes

Xiaoyan Li, Shijun Zheng, Wenjie Wu, 2013, Journal of Molecular Modeling.

Insight into the Effects of Electrostatic Potentials on the Conversion Mechanism of the Hydrogen-Bonded Complexes and Carbon-Bonded Complexes: An Ab Initio and Quantum Theory of “Atoms in Molecules” Investigation

Shijun Zheng, Yanli Zeng, Lingpeng Meng, 2019, ACS omega.

Theoretical Studies on the Isomerizations of CH3NO2

Xiaoyan Li, Shijun Zheng, Lijuan Yang, 2009 .

Discovery of σ-hole interactions involving ylides

Shijun Zheng, Yanli Zeng, Xueying Zhang, 2013, Journal of Molecular Modeling.

Influence of the Li···π Interaction on the H/X···π Interactions in HOLi···C6H6···HOX/XOH (X=F, Cl, Br, I) complexes.

Xiaoyan Li, Shijun Zheng, Wenjie Wu, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2011 .

Cation···π interactions: QTAIM and NBO studies on the interaction of alkali metal cations with heteroaromatic rings

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2014, Structural Chemistry.

Tuning delocalization in the radical cations of 1,4-bis[4-(diarylamino)styryl]benzenes, 2,5-bis[4-(diarylamino)styryl]thiophenes, and 2,5-bis[4-(diarylamino)styryl]pyrroles through substituent effects.

S. Barlow, J. Brédas, S. Marder, 2012, Journal of the American Chemical Society.

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

Shijun Zheng, Lingpeng Meng, P. Zuo, 2005 .

A comparative study of some lithium and hydrogen‐bonded complexes: Ab initio and QTAIM studies

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2014 .

Electron Structure of Arx′ZnZnArx′ (Arx′ = C6H3-2, 6-(C6H5)2) Determined from ELF and NBO Data: Effects of Hydrogen/Sodium Atoms on Zn–Zn Interactions

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2012 .

Isomerizations of CH3SO2: Quantum Chemistry and Topological Study

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2010 .

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

Shijun Zheng, Jing Wang, Yanli Zeng, 2012 .

Nature of E–E bonds in heavier ditetrel alkyne analogues ArEEAr (Ar = C6H3-2,6(C6H3-2,6-Pri2)2; E = Si, Ge, Sn, and Pb)

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2013 .

Theoretical Studies on Reaction Mechanism of CH3SO with NO

Xiaoyan Li, Shijun Zheng, Lingpeng Meng, 2007 .

A comparative study on the reaction mechanisms of Cp2MH2(M = Cr, Mo, W) with HBF4

Xiaoyan Li, Shijun Zheng, Lingpeng Meng, 2019, Applied Organometallic Chemistry.

Nonlinear Optical Characterization of Organic Molecules Using a White-Light Continuum Z-Scan

S. Barlow, S. Marder, E. W. Stryland, 2007 .

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

Shijun Zheng, Lingpeng Meng, Fengyi Liu, 2005 .

Syntheses and structural characterizations of novel tungsten and molybdenum complexes of fullerene [M(η2-C60)(CO)2(phen)(dbm)]· 2C6H6·C5H12 (M = W or Mo, phen = 1,10-phenanthroline, dbm = dibutyl maleate)

Z. Gu, Shijun Zheng, Xihuang Zhou, 1997 .

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

Xiaoyan Li, Shijun Zheng, Lingpeng Meng, 2012, Science China Chemistry.

Metal–Metal and Metal–Ligand Bonds in (η5-C5H5)2M2 (M = Be, Mg, Ca, Ni, Cu, Zn)

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2013 .

Cooperativity between S···π and Rg···π in the OCS···C6H6···Rg (Rg = He, Ne, Ar, and Kr) van der Waals complexes.

J. Hao, Shijun Zheng, Yanli Zeng, 2011, The journal of physical chemistry. A.

Quantum topological study on the structure of chemical bonds in alkylidenecarbene and lithiofluoro-carbenoid

Shijun Zheng, Lingpeng Meng, T. Tang, 1992 .

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

F. Chau, D. Mok, Shu-tao Sun, 2005 .

Nature of chemical bonding and metalloaromaticity of Na2[(MArx')3] (M = B, Al, Ga; Arx' = C6H3-2,6-(C6H5)2).

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2012, The journal of physical chemistry. A.

Enhancing σ/π-type copper(i)thiophene interactions by metal doping (metal = Li, Na, K, Ca, Sc).

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2015, Dalton transactions.

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

Shijun Zheng, Lingpeng Meng, P. Zuo, 2005 .

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

Xiaoyan Li, Shijun Zheng, Lingpeng Meng, 2012, Structural Chemistry.

Mechanism and Stereoselectivity of the Elementometalation Process of Activated Alkyne RCCR(RCO2Me) by Cp2TaH3

Lingpeng Meng, Xiaoyan Li, Jia Wang, 2020, J. Comput. Chem..

First-Principle Calculation for a Novel Hydrogen Storage Material Mg2Ni and its Substitutes

Y. Liu, Shijun Zheng, Lingpeng Meng, 2013 .

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2008 .

The DFT Studies on a Novel Hydrogen Storage Material Mg12Ni6-xCrx(x=0,1)

Y. Liu, Shijun Zheng, Lingpeng Meng, 2013 .

Understanding the properties of inorganic benzenes based on π-electron densities.

Xiaoyan Li, Shijun Zheng, Wenjie Wu, 2015, The journal of physical chemistry. A.

Bisdioxaborine polymethines with large third-order nonlinearities for all-optical signal processing.

Stephen Barlow, Shijun Zheng, Seth R Marder, 2006, Journal of the American Chemical Society.

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2008 .

A theoretical study of the mechanism and kinetics of F+N3 reactions.

W. Bian, Xiao-jun Liu, Haitao Ma, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

High two-photon cross-sections in bis(diarylaminostyryl) chromophores with electron-rich heterocycle and bis(heterocycle)vinylene bridges.

Jie Fu, Stephen Barlow, Egbert Zojer, 2007, Chemical communications.

Analysis of short-channel effects in organic field-effect transistors

Bernard Kippelen, Seth R. Marder, Xiao-Hong Zhang, 2005, SPIE Optics + Photonics.

Synthesis, characterization, and coordination chemistry of the 2-azaphenalenyl radical.

Jie Lan, Shijun Zheng, Yves Rubin, 2003, Journal of the American Chemical Society.

Isolation and crystal structures of two singlet bis(triarylamine) dications with nonquinoidal geometries.

Tiffany L. Kinnibrugh, S. Barlow, J. Brédas, 2006, Journal of the American Chemical Society.

Perchloro-2,5,8-triazaphenalenyl radical.

Y. Rubin, Ana Tontcheva, Shijun Zheng, 2005, Organic letters.

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

Xiaoyan Li, Shijun Zheng, Lingpeng Meng, 2008 .

A HeI photoelectron spectrum of the [Al(CH3)3]2 dimer

X. Qian, Shijun Zheng, Dianxun Wang, 1997 .

HeI photoelectron spectroscopic (PES) studies of the electronic structure of Al(CH3)3, In(C2H5)3 and Cd(CH3)2 compounds

Shijun Zheng, Dianxun Wang, Chuanfan Ding, 1996 .

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

Maofa Ge, Shijun Zheng, Dianxun Wang, 2004 .

The role of molecular electrostatic potentials in the formation of a halogen bond in furan⋅⋅⋅XY and thiophene⋅⋅⋅XY complexes.

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Enhanced optical limiting performance of a novel molybdenum complex of fullerene

Qihuang Gong, Peng Gao, Tieqiao Zhang, 1998 .

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

Lingpeng Meng, Yanli Zeng, Shijun Zheng, 2011, Journal of molecular modeling.

Extended squaraine dyes with large two-photon absorption cross-sections.

J. Perry, S. Barlow, J. Brédas, 2006, Journal of the American Chemical Society.

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2011 .

The cooperativity between the σ-hole and π-hole interactions in the ClO···XONO2/XONO···NH3 (X = Cl, Br, I) complexes

Lingpeng Meng, Yanli Zeng, Shijun Zheng, 2015, Structural Chemistry.

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

Min Zhu, Xiaoyan Li, Lingpeng Meng, 2012, J. Comput. Chem..

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2012, Science China Chemistry.

Reaction mechanism of CH3M≡MCH3 (M=C, Si, Ge) with C2H4: [2+1] or [2+2] cycloaddition?

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2013, Journal of Molecular Modeling.

AIM Study on the Reaction of CH2SH Radical with Fluorine Atom

Shijun Zheng, Yanli Zeng, Lingpeng Meng, 2008 .

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2011 .

Synthesis, characterization, and coordination chemistry of the 2-azaphenalenyl radical.

Y. Rubin, Shijun Zheng, J. Lan, 2003 .

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2010 .

HeI photoelectron spectroscopic (PES) studies of the electronic structure for alkyl nitrites CH3(CH2)nONO (n = 0, 1, 2, 3)

Shijun Zheng, Dianxun Wang, Wenwu Chen, 1996 .

Reaction of AgN3 with SOCl2: evidence for the formation of thionyl azide, SO(N3)2.

Maofa Ge, Qiao Sun, Jianping Zhang, 2004, Inorganic chemistry.

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

Xiaoyan Li, Shijun Zheng, Lingpeng Meng, 2007 .

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

Xiaoyan Li, Shijun Zheng, Lingpeng Meng, 2006 .

A simple method to generate B(N3)3

F. Chau, Maofa Ge, D. Mok, 2006 .

The enhancing effects of group V σ-hole interactions on the F···O halogen bond.

Lingpeng Meng, Yanli Zeng, Wei Li, 2014, Physical chemistry chemical physics : PCCP.

Two-Photon Absorption in Quadrupolar Bis(acceptor)-Terminated Chromophores with Electron-Rich Bis(heterocycle)vinylene Bridges

A. Jen, S. Barlow, J. Brédas, 2007 .

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

Xiaoyan Li, Shijun Zheng, Yanli Zeng, 2011, Journal of molecular modeling.

B3LYP calculations of the potential energy surfaces of the thermal dissociations and the triplet ground state of pyrolysis products XN(x̃3Σ−) for halogen azides XN3 (X: F, Cl, Br, I)

Shijun Zheng, Dianxun Wang, Yanli Zeng, 2003 .