Publication Lists: (*Corresponding Authors)

[109]. Dongze Luo, Qinqin Yuan*, and Longjiu Cheng*
Theoretical Study of Multi-Coordinated Xe(AuF)_n (n = 2-4): Intriguing Bond-bending Isomerism
Chemical Physics 2022 (accepted for publication). [ pdf ]

[108]. Dan Li, Jinlong Yang*, and Longjiu Cheng*
A unified superatomic-molecule theory for local aromaticity in π-conjugated systems
National Science Review 2022, nwac216, https://doi.org/10.1093/nsr/nwac216 [ pdf ]

[107]. Chang Xu, Yichun Zhou, Lili Shi* and Longjiu Cheng*
Superatomic Three-Center Bond in Tri-Icosahedral Au₃₆Ag₂(SR)₁₈ Cluster: Analogue of 3c-2e Bond in Molecules
Journal of Physical Chemistry Letters 2022 DOI: 10.1021/acs.jpclett.2c02552. [ pdf ]

[106]. Qinqin Yuan, Wanwan Feng, Wenjin Cao, Yichun Zhou, Longjiu Cheng*, and Xue-Bin Wang*
Sodium Cationization Enables Exotic Deprotonation Sites on Gaseous Mononucleotides
Journal of Physical Chemistry Letters 2022 DOI: 10.1021/acs.jpclett.2c02691. [ pdf ]

[105]. Chen Yan, Jiuqi Yi, Peng Wang, Dan Li*, and Longjiu Cheng*
Assembling Au₄ Tetrahedra to 2D and 3D Superatomic Crystals Based on Superatomic-Network Model
ACS Omega 2022 7(36), 32708-32716. [ pdf ]

[104]. Wanwan Feng, Dan Li* and Longjiu Cheng*
Theoretical study on L-H⁺-L with identical donors: short strong hydrogen bond or not?
Journal of Chemical Physics 2022, 157, 094302. [ pdf ]

[103]. Haoran Wang, Panpan Wu, Zhenyu Wu, Lili Shi* and Longjiu Cheng*
New insight into the electronic structure of SiF₄: synergistic back-donation and the eighteen-electron rule
Phys. Chem. Chem. Phys. 2022, 24, 17679-17685. [ pdf ]

[102]. Qiman Liu*, Manli Zhang, Dawen Zhang, Yunhu Hu, Qiyong Zhu* and Longjiu Cheng*
Adsorption properties of pyramidal superatomic molecules based on the structural framework of the Au₂₀ cluster
Phys. Chem. Chem. Phys. 2022, 24, 12410. [ pdf ]

[101]. Chen Yan, Jiuqi Yi, Dan Li*, Chang Xu and Longjiu Cheng*
FeP2 monolayer: isoelectronic analogue of MoS₂ with excellent electronic and optical properties
Phys. Chem. Chem. Phys. 2022, 24, 13376. [ pdf ]

[100]. Xinlei Yu#, Tong Jin#, Kun Wang, Dan Li, and Longjiu Cheng*
Benchmark studies on the large errors of calculated binding energies in metallophilic interactions
Journal of Chemical Physics 2022, 156, 104103. [ pdf ]

[99]. Chang Xu#, Yichun Zhou#, Jiuqi Yi, Dan Li, Lili Shi, and Longjiu Cheng*
Tri- and Tetra-superatomic Molecules in Ligand-Protected Face-Fused Icosahedral (M@Au₁₂)_n (M = Au, Pt, Ir, Os, n = 3, 4) Clusters
Journal of Physical Chemistry Letters 2022, 13, 1931-1939. [ pdf ]

[98]. Xinlei Yu, Dan Li, Kun Wang,* Tao Xia, Chang Xu, Zhenyu Wu, and Longjiu Cheng*
The Covalent Au^I-Au^I Bond in (AuF)_n (n = 2¡«4): A Perspective to Understand the Closed-Shell Au^I...Au^I Interaction
Inorganic Chemistry 2022, 61, 1051-1058. [ pdf ]

[97]. Zhongxin Ping, Qingyun Sun, Jiuqi Yi, Qianqian Li, Lukang Zhao, Hui Zhang, Fangzhi Huang*, Shikuo Li*, and Longjiu Cheng*
Formulating Multiphase Medium Anti-wetting States in an Air-Water-Oil System: Engineering Defects for Interface Chemical Evolutions
ACS Appl. Mater. Interfaces 2021, 13, 49556-49566. [ pdf ]

[96]. Jiuqi Yi, Bingbing Gong, Chang Xu*, Wenhua Zhang* and Longjiu Cheng*
Prediction of an Al₄C₄ superatom organic framework (SOF) material based on the superatom network model
Phys. Chem. Chem. Phys 2021, 23, 24294. [ pdf ]

[95]. Ji Sun, Jiuqi Yi, and Longjiu Cheng*
Directional Monte Carlo Lattice Search Algorithm for the Structure Search of Alumina Clusters (Al₂O₃)_n (n=1-50)
Acta Chimica Sinica 2021, 79, 1154-1163. [ pdf ]

[94]. Dan Li, Tao Xia, Wanwan Fenga, and Longjiu Cheng*
Revisiting the covalent nature of halogen bonding: a polarized three-center four-electron bond
RSC Advances 2021, 11, 32852-32860. [ pdf ]

[93]. Y. Jia, X. Yu, H. Zhang, L. Cheng*, and Z. Luo*
Tetrahedral Pt10- Cluster with Unique Beta Aromaticity and Superatomic Feature in Mimicking Methane
J. Phys. Chem. Lett. 2021, 12, 5115-5122. [ pdf ]

[92]. C. Xu*, and L. Cheng*
Structural phase diagram and bonding patterns of BxHy (x+y=20) binary systems: A theoretical investigation
Comput. Theor. Chem. 2021, 1200, 113237. [ pdf ]

[91]. Q. Liu*, P. Fan, Y. Hu, and L. Cheng*
Superatomic and adsorption properties of Ni atom doped Au clusters
Phys. Chem. Chem. Phys. 2021, 23, 10946-10952. [ pdf ]

[90]. Chang Xu, Yingying Ma, and Longjiu Cheng*
Revisiting the pi-Back-Donation in the NHC-B B-NHC Molecule
J. Phys. Chem. A 2021, 125, 1681-1687. [ pdf ]

[89]. Di Wei, Wen Ma, Xia Wu, and Long-jiu Cheng*
A modified dynamic lattice searching method for structural optimization of metal oxide clusters
Chemical Physics 2021, 543, 111097. [ pdf ]

[88]. Qiman Liu*, Yunhu Hu, Xiaoyan Zhang, Fengwu Wang, and Longjiu Cheng*
Structural, electronic, and adsorbed properties of Be-rich nanoalloys: BenPt(n = 1-10) clusters
Chemical Physics 2021, 542, 111055. [ pdf ]

[87]. Yichun Zhou, Xinlei Yu, and Longjiu Cheng*
Multiple d-d bonds between early transition metals in TM2Lin(TM = Sc, Ti) superatomic molecule clusters
Nanoscale 2020, 12, 20506. [ pdf ]

[86]. Peng Wang, Panpan Wu, Kun Wang*, Longjiu Cheng*
Stabilization of the [cyclo-N5]- anion by Lewis acid-base interactions
International journal of Quantum Chemistry 2020, e26473. [ pdf ]

[85]. Tao Xia, Dan Li, Longjiu Cheng*
Theoretical analysis of the spodium bonds in HgCl2...L(L=ClR, SR2, and PR3)dimers
Chemical Physics 2020, 539,110978. [ pdf ]

[84]. Xinlei Yu, Chang Xu, Longjiu Cheng*
Theoretical investigation on anti-sandwich beryllium-boron clusters Be2mBn (m = 1-3): Fluxionality and multi-aromaticity
Computational and Theoretical Chemistry 2020, 1188,112949. [ pdf ]

[83]. Yingying Ma, Yuanqin Yu*, Long jiu Cheng*
Electronic Stability of Bimetallic Au2@Cu6 Nanocluster: Closed-Shell Interaction and Multicenter Bonding
Chinese Journal of Chemical Physics 2020, 33, 3. [ pdf ]

[82]. Qiman Liu, Chang Xu, Longjiu Cheng*
Structural and Electronic Properties of Nano-brass: CuxZny (x + y = 11-13) Clusters
Journal of Cluster Science 2020, 31, 601-607. [ pdf ]

[81]. Kun Wang, Chang Xu, Dan Li and Longjiu Cheng*
Applying the Jellium model to octacarbonyl metal complexes
Communications Chemistry 2020, 3, 39. [ pdf ]

[80]. Qiman Liu, Chengyu Zhang, Chang Xu*, Shuanglin Hu* and Longjiu Cheng*
Prediction of the Au4S crystal via a superatom network model: from clusters to solids
Physical Chemistry and Chemical Physics 2020, 22, 3921-3926. [ pdf ]

[79]. Hui Fan, Longjiu Cheng, Baokang Jin*
Investigation on electrochemical capture of CO2 in p-Benzoquinone solutions by in situ FT-IR spectroelectrochemistry
Electrochimica Acta 2019, 324, 134882. [ pdf ]

[78]. Kun Wang*, Chaohua Dai, Chen Sun, Longjiu Cheng, Jianguo Zhang, Tonglai Zhang
The effects of Zn2+ and ClO4 in the excellent primary explosive Zn(CHZ)3(ClO4)2
International journal of Quantum Chemistry 2019, 120, e26107. [ pdf ]

[77]. Zhimei Tian, Yangyang Xu and Longjiu Cheng*
New Perspectives on the Electronic and Geometric Structure of Au70S20(PPh3)12 Cluster: Superatomic-Network Core Protected by Novel Au12(¦Ì3-S)10 Staple Motifs
nanomaterials 2019, 9, 1132-1144. [ pdf ]

[76]. Qiman Liu, Chang Xu, Xia Wu* and Longjiu Cheng*
Electronic shells of a tubular Au26 cluster: a cage-cage superatomic molecule based on spherical aromaticity
Nanoscale 2019, 11, 13227-13232. [ pdf ]

[75]. Xuejiao Qian, Dan Li, Longjiu Cheng, and Baokang Jin*
Mechanism of electrochemical capture of CO2 via redox cycle of chlorinated 1.4-naphthoquinone in BMIMBF4:An in-situ FT-IR spectroeectrochemical approach
journal of Electroanalytical Chemistry 2019, 845, 126-136. [ pdf ]

[74]. Qiman Liu, and Longjiu Cheng*
Structural evolution and electronic properties of Cu-Zn alloy clusters
Journal of Alloys and Compounds 2019, 771, 762-768. [ pdf ]

[73]. Qijian Zheng, Chang Xu*, Xia Wu*, and Longjiu Cheng*
Evidence for the Superatom-Superatom Bonding from Bond Energies
ACS Omega 2018, 3, 14423-14430. [ pdf ]

[72]. Yinjiang Cai, and Longjiu Cheng*
Single-root networks for describing the potential energy surface of Lennard-Jones clusters
J. Chem. Phys. 2018, 149, 084102. [ pdf ]

[71]. Yanfang Shen, and Longjiu Cheng*
Electronic Stability of Eight-electron Tetrahedral Pd4 Clusters
Acta Phys. -Chim. Sin. 2018, 34, 830-836. [ pdf ]

[70]. Luo, XM; Jian, T; Cheng, LJ; Li, WL; Chen, Q; Li, R; Zhai, HJ; Li, SD; Boldyrev, AI; Li, J; Wang, LS
B26: The smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape
Chemical Physical Letters 2017, 683, 336-341. [ pdf ]

[69]. Liu, Q; Cheng, LJ; Wang, K*
A theoretical study of an electronically mismatched Diels-Alder cycloaddition
RSC Advances 2017, 7(49), 30618-30625. [ pdf ]

[68]. Li, YY; Li, D; Cheng, LJ; Jin, BK*
Investigation on Redox Mechanism of p-Nitrophenol in Aprotic Media
Chimical Journal of Chinese Universities-Chinese 2017, 38(11), 2023-2030. [ pdf ]

[67]. Fu, FY; Xiang, J; Cheng, H; Cheng, LJ; Chong, HB; Wang, SX; Li, P; Wei, SQ; Zhu, MZ; Li, YD
A Robust and Efficient Pd-3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism
ACS Catalysis 2017, 7(3), 1860-1867. [ pdf ]

[66]. Ding, ZL; Sun, ZQ; Sun, J; Li, G; Meng, FM; Wu, MZ; Ma, YQ; Cheng, LJ; Chen, XS
The inelastic electron tunneling spectroscopy of edge-modified graphene nanoribbon-based molecular devices
Chinese Physics B 2017, 26(2), 023103. [ pdf ]

[65]. Wu XJ*, Yu XH, Liu, AZ, Jiang, WG, Cheng, LJ
Spectral Study of LaCl3 in Aqueous Solutions
Spectroscopy and Spectral Analysis 2017, 9(2), 856-861. [ pdf ]

[64]. Liren Liu, Liu, Jiyun Yuan, Longjiu Cheng, and Jinlong Yang*
New insights into the stability and structural evolution of some gold nanoclusters
Nanoscale 2017, 9(2), 856-861. [ pdf ]

[63]. Yujie Cui, and Longjiu Cheng*
The nature of the multicenter bonding in pi-[TCNE]2^2- dimer: 4c/2e, 12c/2e, or 20c/2e?
RSC Advances 2017, 7, 49526-49531. [ pdf ]

[62]. Yanfang Shen, Chang Xu*, and Longjiu Cheng*
Deciphering chemical bonding in BnHn2- (n = 2-17): flexible multicenter bonding
RSC Advances 2017, 7, 36755-36764. [ pdf ]

[61]. Zhimei Tian, and Longjiu Cheng*
Evolution of 4e-superatom networks in Au4-(AuL)1-12 nanoclusters (L = Cl, SH, PH2, SCH3)
Jornal of Physical Chemistry C 2017, 121, 20458-20467. [ pdf ]

[60]. Longjiu Cheng*
Quintuple super bonding between superatoms of metallic clusters
Nanoscale 2017, 9, 13209-13213. [ pdf ]

[59]. Yanfang Shen, Chang Xu, Haiyan Wang, and Longjiu Cheng*
Research Advances of Boron Clusters, Boron and Metal doped Boron Compounds
Progress in Chemistry (in Chinese) 2016, 28(11), 1601-1614. [ pdf ]

[58]. Xiaojing Wu, Weiguo Jiang, Yapeng Yu, Xuehui Yu, and Longjiu Cheng
[Zn-(CH3CH2OH)n]2+ Clusters Probed with Fluorescence Spectroscopy and Computation
Spectroscopy and Spectral Analysis (in Chinese) 2016, 36, 2527-2531. [ pdf ]

[57]. Liren Liu, Pai Li, Lan-Feng Yuan,* Longjiu Cheng and Jinlong Yang*
From isosuperatoms to isosupermolecules: new concepts in cluster science
Nanoscale 2016, 8, 12787-12792. [ pdf ]

[56]. Min Huang, Chang Xu, and Longjiu Cheng*
Density Functional Theory Studies of the Binary Systems [BxAl13-x](x= 0-13)
Acta Chimica Sinica (in Chinese) 2016, 74, 758-763. [ pdf ]

[55]. Zhimei Tian, Longjiu Cheng*
First principle study on the structural evolution and properties of (MCl)n (n = 1-12, M = Cu, Ag) clusters
RSC Advances 2016, 6(36), 30311-30319. [ pdf ]

[54]. Rui Gong, and Longjiu Cheng*
Anisotropy Effect of Multi-Center Lennard-Jones Molecular Clusters
Computational and Theoretical Chemistry 2016, 1082, 41-48. [ pdf ]

[53]. Wangdan Liu, and Longjiu Cheng*
Size Evolution of 2e-superatom in Ligand-protected Au Nanoclusters: Au2-(AuL)1-12 (L = Cl, SH, SCH3, PH2 and P(CH3)2)
Jornal of Physical Chemistry C 2016, 120(4), 2432-2438. [ pdf ]

[52]. Yao Liu, Zhimei Tian, and Longjiu Cheng*
Size evolution and ligand effects on the structures and stability of (AuL)n (L = Cl, SH, SCH3, PH2, P(CH3)2, n = 1-13) clusters
RSC Advances 2016, 6, 4705-4712. [ pdf ]

[51]. Zhimei Tian, and Longjiu Cheng*
Electronic and geometric structures of Au30 clusters: A network of 2e-superatom Au cores protected by novel branching staple motifs with u3-S
Nanoscale 2016, 8, 826-834. [ pdf ]

[50]. Lijuan Yan, Longjiu Cheng*, and Jinlong Yang*
Tetrahedral Au17+: A Superatomic Molecule with a Au13 FCC Core
Journal of Physical Chemistry C 2015, 119, 23274-23278. [ pdf ]

[49]. Chang Xu, Longjiu Cheng*, and Jinlong Yang*
Theoretical Investigation on Icosahedral C60(FeCp)12: A Hybrid of C60 and Ferrocene
International Journal of Quantum Chemistry 2015, 115(22), 1621-1628. [ pdf ]

[48]. J Su, L Yao, M Zhao, H Wang, Q, Zhang, LJ Cheng, ... and YP Tian
Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks
Inorganic chemistry 2015, 54, 6169-6175.

[47]. Zhimei Tian, Wangdan Liu, and Longjiu Cheng*
Progresses of the Experimental and Theoretical Studies on Aum(SR)n Clusters
Progress in Chemistry (in Chinese) 2015, 27 (12), 1743-1753. (URL: http://www.progchem.ac.cn/EN/10.7536/PC150529 ). [ pdf ]

[46]. Yujie Hu, Mingxing Zhou, and Longjiu Cheng*
A new method for modeling the cage structures of (B2O3)n clusters
Computers and Applied Chemistry (in Chinese) 2015, 32 (10), 1206-1210. [ pdf ]

[45]. Lijuan Yan, Longjiu Cheng*, and Jinlong Yang*
SP3-Hybridization Feature of Ag4 Superatom in Superatomic Molecules
Chinese Journal of Chemical Physics 2015, 28, 476-480. [ pdf ]

[44]. Yiqun Feng, and Longjiu Cheng*
Structural evolution of (Au2S)n (n=1-8) clusters from first principles global optimization
RSC Advances 2015, 5, 62543-62550. [ pdf ]

[43]. Zhimei Tian, and Longjiu Cheng*
Perspectives on the energy landscape of Au-Cl binary systems from the structural phase diagram of AuxCy (x+y= 20)
Physical Chemistry and Chemical Physics 2015, 17, 13421-13428. [ pdf ]

[42]. Qiyao Zhang, and Longjiu Cheng*
Structural determination of (Al2O3)n (n=1-15) clusters based on Graphic Processing Unit
Journal of Chemical Information and Modeling 2015, 55, 1012-1020. [ pdf ]

[41]. Hui Cheng, and Longjiu Cheng*
Secondary bonding networks in small (HgS)n clusters: A theoretical investigation
Computational and Theoretical Chemistry 2015, 1060, 36-42. [ pdf ]

[40]. Chang Xu, Longjiu Cheng*, and Jinlong Yang*
Double aromaticity in transition metal centered double-ring boron clusters M@B-2n (M = Ti, Cr, Fe, Ni, Zn; n=6, 7, 8)
Journal of Chemical Physics 2014, 141, 124301. [ pdf ]

[39]. Longjiu Cheng*, Xiuzhen Zhang, Baokang Jin, and Jinlong Yang*
Superatom-atom super-bonding in metallic clusters: a new look to the mystery of an Au20 pyramid
Nanoscale 2014, 6, 12440-12444. [ pdf ]

[38]. Lifen Li, Chang Xu, Baokang Jin, and Longjiu Cheng*
Ferrocene analogues of sandwich M(CrB6H6)2: a theoretical investigation
Dalton Transactions 2014, 43(30), 11739-11744. [ pdf ]

[37]. Dan Li, Longjiu Cheng, and Baokang Jin*
Investigation on PCET-accompanied Dimerization of 5-hydroxy-1, 4-naphthoquinone in the Process of Electrochemical Reduction by In Situ FT-IR Spectroelectrochemistry and Density Functional Calculation
Electrochimica Acta 2014, 130, 387-396. [ pdf ]

[36]. L Kong*, JX Yang, LJ Cheng, P Wang ...
Time-dependent morphology evolution and density functional theory calculations to study crystal growth process of a triphenylamine nanorod
Journal of Molecular Structure 2014, 1059, 144-149. [ pdf ]

[35]. Lifen Li, Chang Xu, Baokang Jin, and Longjiu Cheng*
Benzene analogues of (quasi-)planar M@BnHn compounds (M = V-, Cr, Mn+): A theoretical investigation
Journal of Chemical Physics 2013, 139, 174310. [ pdf ]

[34]. Lifen Li, Chang Xu, and Longjiu Cheng*
Density Functional Investigation of X@BnHn (X = B+, Be; n = 5-8)
Computational and Theoretical Chemistry (Invited paper) 2013, 1021, 144-148. (DOI: 10.1016/j.comptc.2013.07.001) [ pdf ]

[33]. Longjiu Cheng*, Yuan Yuan, Xiuzhen Zhang, and Jinlong Yang*
Superatom Networks in Thiolate-Protected Gold Nanoparticles
Angewandte Chemie International Edition 2013, 52, 9035-9039. (DOI: 10.1002/anie.201302926) [ pdf ]

[32]. Yuan Yuan, Longjiu Cheng*, and Jinlong Yang*
Electronic Stability of Phosphine-protected Au20 Nanocluster: Superatomic bonding
Journal of Physical Chemistry C 2013, 117, 13276-13282. [ pdf ]

[31]. Lifen Li, and Longjiu Cheng*
First Principle Structural Determination of (B2O3)n (n=1-6) Clusters: from Planar to Cage
Journal of Chemical Physics 2013, 138, 094312. [ pdf ]

[30]. Yuan Yuan, and Longjiu Cheng*
Ferrocene Analogues of Sandwich B12.Cr.B12: A Theoretical Study
Journal of Chemical Physics 2013, 138, 024301. [ pdf ]

[29]. Longjiu Cheng*, Changda Ren, Xiuzhen Zhang, and Jinlong Yang*
New Insight Into Electronic Shell of Au38(SR)24: a Superatomic Molecule
Nanoscale 2013, 5, 1475-1478. (DOI: 10.1039/C2NR32888G) [ pdf ]

[28]. Yuan Yuan, and Longjiu Cheng*
Theoretical Prediction for the Structures of Gas Phase Lithium Oxide Clusters: (Li2O)n (n=1-8)
International Journal of Quantum Chemistry 2013, 113(9), 1264-1271. (DOI: 10.1002/qua.24274). [ pdf ]

[27]. Longjiu Cheng*, and Jinlong Yang*
New Insight Into Electronic Shells of Metal Clusters: Analogues of Simple Molecules
Journal of Chemical Physics (Communication) 2013, 138, 141101; (see also Arxiv preprint 2012, arXiv:1204.4028.) [ pdf ] [ Top 20 Most Downloaded (Apr. 2013) ]

[26]. L Kong*, JX Yang, ZM Xue, HP Zhou, LJ Cheng, Q Zhang, JY Wu, BK Jin, SY Zhang, and YP Tian
Regulation of luminescence band and exploration of antibacterial activity of a nanohybrid composed of fluorophore-phenothiazine nanoribbons dispersed with Ag nanoparticles
Journal of Materials Chemistry C 2013, 1(33), 5047-5057. [ pdf ]

[25]. JJ Wang, BK Jin*, and LJ Cheng
Investigation on redox mechanism of p-aminophenol in non-aqueous media by FT-IR spectroelectrochemistry
Electrochimica Acta 2013, 91, 152-157. [ pdf ]

[24]. JM Song*, Y Liu, HL Niu, CJ Mao, LJ Cheng, SY Zhang, and YH Shen
Hot-injection synthesis and characterization of monodispersed ternary Cu2 SnSe3 nanocrystals for thermoelectric applications
Journal of Alloys and Compounds 2013, 581, 646-652. [ pdf ]

[23]. WX Cheng, BK Jin*, P Huang, LJ Cheng, SY Zhang, and YP Tian
Investigation on the Dimer of 1,8-Dihydroxy-9,10-anthracenedione in the Process of Electrochemical Reduction by Using IR Spectroelectrochemical Cyclic Voltabsorptometry and Derivative Cyclic Voltabsorptometry.
Journal of Physical Chemistry C 2013, 117(8), 3940-3948. [ pdf ]

[22]. Rong Li, and Longjiu Cheng*
Structural Determination of (Al2O3)n (n = 1-7) Clusters Based on Density Functional Calculation
Computational and Theoretical Chemistry 2012, 996, 125-131. [ pdf ]

[21]. Yuan Yuan, and Longjiu Cheng*
B14^2+: A Magic Number Double-Ring Cluster
Journal of Chemical Physics 2012, 137, 044308. [ pdf ]

[20]. Ren Lei, Longjiu Cheng*, Yan Feng, and Xuemei Wang
Geometric and Electronic Structures of (BeO)N (N=2-12,16,20 and 24): Rings, Double Rings and Cages
Journal of Chemical Physics 2012, 137, 014309. [ pdf ]

[19]. Longjiu Cheng*
B14: An All-Boron Fullerene
Journal of Chemical Physics 2012, 136, 104301. [ pdf ]

[18]. Lei Ren and Longjiu Cheng*
Structural prediction of (Au20)N (N = 2-40) clusters and their building-up principle
Computational and Theoretical Chemistry 2012, 984, 142-147. [ pdf ]

[17]. Yan Feng*, Jing Wu, Longjiu Cheng*, and Haiyan Liu
Anisotropy effect on global minimum structures of clusters: Two-center Lennard-Jones model
Journal of Chemical Physics 2011, 135, 244108. [ pdf ]

[16]. Jing Wu and Longjiu Cheng*
Structural Phase Diagrams of Modified Morse Clusters: 11 <= N <= 30
Journal of Chemical Physics 2011, 134, 194108. [ pdf ]

[15]. Yan Feng*, Longjiu Cheng*, and Haiyan Liu
Putative Global Minimum Structures of Morse Clusters as a Function of the Range of the Potential: 161 <= N <= 240
Journal of Physical Chemistry A 2009, 113, 13651. [ pdf ]

[14]. Longjiu Cheng*, Yan Feng, Jie Yang, and Jinlong Yang
Funnel hopping: search the cluster potential energy surface over the funnels
Journal of Chemical Physics 2009, 130, 214112. [ pdf ]

[13]. Longjiu Cheng, and Jinlong Yang*
Modified Morse potential for unification of the pair interactions
Journal of Chemical Physics 2007, 124, 124104. [ pdf ]

[12]. Longjiu Cheng, and Jinlong Yang*
Global Minimum Structures of Morse Clusters as a Function of the Range of the Potential: 81 <= N <= 160
Journal of Physical Chemistry A 2007, 111, 5287-5293. [ pdf ]

[11]. Longjiu Cheng, and Jinlong Yang*
Novel Lattice-Searching Method for Modeling the Optimal Strain-Free Close-Packed Isomers of Clusters
Journal of Physical Chemistry A 2007, 111 (12): 2336-2342. [ pdf ]

[10]. Longjiu Cheng, Wensheng Cai, Xueguang Shao*
A Conformational Analysis Method for Understanding the Energy Landscapes of Clusters
ChemPhysChem 2007, 8(4): 569-577. [ pdf ]

[9]. Huan Zhan, Longjiu Cheng, Wensheng Cai, Xueguang Shao*
Structural Optimization of Silver Clusters from Ag61 to Ag120 by Dynamic Lattice Searching Method
Chemical Physics Letters 2006, 422, 358-362. [ pdf ]

[8]. Tao Zhou, Wenjie Bai, Longjiu Cheng, Binhong Wang*
Continuous Extremal Optimization for Lennard-Jones Clusters
Physical Review E 2005, 72, 016702. [ pdf ]

[7]. Yuhong Xiang, Longjiu Cheng, Wensheng Cai, Xueguang Shao*
Structural Distribution of Lennard-Jones clusters Containing 562 to 1000 atoms
Journal of Physical Chemistry A 2004, 108, 9516-9520. [ pdf ]

[6]. Longjiu Cheng, Wensheng Cai, Xueguang Shao*
An Energy-based Perturbation and a Taboo Strategy for Improving the Searching Ability of Stochastic Structural Optimization Methods
Chemical Physics Letters 2005, 404(1-3):182-186. [ pdf ]

[5]. Longjiu Cheng, Wensheng Cai, Xueguang Shao*
Geometry Optimization and Conformational Analysis of (C60)N Clusters by Using a Dynamic Lattice Searching Method
ChemPhysChem 2005, 6(2):261-266. [ pdf ]

[4]. Xueguang Shao*, Longjiu Cheng, Wensheng Cai
A Dynamic Lattice Searching Method for Fast Optimization of Lennard-Jones Clusters
Journal of Computational Chemistry 2004, 25(14):1693-1698. [ pdf ]

[3]. Xueguang Shao*, Longjiu Cheng, Wensheng Cai
An Adaptive Immune Optimization Algorithm for Energy Minimization Problems
Journal of Chemical Physics 2004, 120(24):11401-11406. [ pdf ]

[2]. Longjiu Cheng, Wensheng Cai, Xueguang Shao*
A Connectivity Table for Cluster Similarity Checking in the Evolutionary Optimization Method
Chemical Physics Letters 2004, 389(4-6):309-314. [ pdf ]

[1]. Haiyan Jiang, Longjiu Cheng, Wensheng Cai, Xueguang Shao*
The Geometry Optimization of Argon Atom Clusters Using a Parallel Genetic Algorithm
Computers and Applied Chemistry (Chinese Journal) 2002, 19(1):9-12