| 1. | Lu X*, Lin MC,
Reactions of Some [C,N,O]-Containing Molecules with Silicon Surfaces: Experimental and Theoretical Studies. (Review) Int. Rev. Phys. Chem., 21 (2002), 137-184. |
| 2. | Lu X*,Yuan QH, Xu X, Wang NQ, Zhang QE
Covalent Chemistry for the Sidewalls of Carbon Nanotubes.(in Chinese) Advances in Physical Chemistry of Solid Surfaces (Book) , Xiamen University Press: Xiamen, 2005. |
| 3. | Xu X*, Lu X, Wang NQ, Zhang QE
Cluster Modeling of Chemisorption and Reactions on Metal Oxide Surfaces Acta Physico-Chimica Sinica (20th anniversary special issue), 20 (2004) 1045-1054. |
| 4. | Lu X*, Chen ZF*
Curved Pi-Conjugation and the Related Chemistry of Small Fullerenes ( smaller than C60) and Single-Wall Carbon Nanotubes. Chem. Rev., 105 (2005), 3643-3696. (Online Text) |
| 5. | Zhou Z, Lu X*, Chen ZF*
Curvature, Aromaticity and reactivity of Single-walled carbon nanotubes. Chemistry of Carbon nanotubes, Volume 1, V.A. Basiuk and E.A. Basiuk (Ed.), American Scientific Publishers, 47-73, 2008. |
2021 |
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| 200. |
Zhu XQ, Hong P, Zheng YX, Chen BK, Hong FL, Lu X*, Ye LW*
Copper-Catalyzed Asymmetric Cyclization of Alkenyl Diynes: Method Development and New Mechanistic Insights. Chem. Sci., 2021, in press. |
| 199. |
Sun Q, Lu X*, Tantillo DJ*
Dynamic Effects in Intramolecular Schmidt Reactions: Entropy, Electrostatic Drag, and Selectivity Prediction. ChemPhysChem, 2021, 22(7),649-656. Online Text (Apr. 7, 2021) |
| 198. |
Hong P, Ning LC, Tan K, Wu AA*,Lu X*
Insights into the Mechanism of Fatty Acid Photodecarboxylase: A Theoretical Investigation. Chem. Phys. Lett., 2021, 771, 138550. Online Text (May 16, 2021) |
2020 |
|
| 197. |
Zhao C, Tan K, Nie MZ, Lu YX, Zhang J, Wang CR,Lu X*, Wang TS,*
Scandium Tetrahedron Supported by H Anion and CN Pentaanion inside Fullerene C80. Inorg. Chem., 2020, 59(12), 8284-8290. Online Text (Jun. 15, 2020) |
| 196. |
Li YL, Luo X, Ding T, Lu X, Wu KF,*
Size- and Halide-Dependent Auger Recombination in Lead Halide Perovskite Nanocrystals. Angew. Chem. Int. Ed, 2020, 59(34), 14292-14295. Online Text (Aug. 17, 2020) |
| 195. |
Li YL, Luo X, Liu Y, Lu X, Wu KF,*
Size- and Composition-Dependent Exciton Spin Relaxation in Lead Halide Perovskite Quantum Dots. ACS Energy Lett., 2020, 5(5), 1701-1708. Online Text (May 8, 2020) |
| 194. |
Li YL, He S, Luo X, Lu X, Wu KF,*
Strong Spin-Selective Optical Stark Effect in Lead Halide Perovskite Quantum Dots. J. Phys. Chem. Lett., 2020, 11(9), 3594-3600. Online Text (Apr. 23, 2020) |
| 193. |
Hong FL, Chen TB,Ye SH, Zhu GY, Zhu XQ, Lu X, Liu RS, Ye LW*
Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles£ºAccess to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons. J. Am. Chem. Soc., 2020, 142(16), 7618-7626. Online Text (Apr. 2, 2020) |
| 192. |
Li YL, Ding T, Luo X, Tian YY,Lu X*, Wu KF*,
Synthesis and Spectroscopy of Monodispersed, Quantum-Confined FAPbBr3 Perovskite Nanocrystals. Chem. Mater., 2020, 32(1), 549-556. Online Text (Jan. 14, 2020) |
2019 |
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| 191. |
Sun Q, Hong P, Wei DD, Wu A*, Tan K, Lu X*,
Chemoselectivity in Gold(I)-Catalyzed Propargyl Ester Reactions: Insights from DFT Calculations. Frontiers in Chemistry, 2019, 7, 609. Online Text (Sept. 6, 2019) |
| 190. |
Hong FL, Wang ZS, Wei DD, Zhai TY, Deng GC, Lu X, Liu RS, Ye LW*,
Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles. J. Am. Chem. Soc., 2019, 141(42)16961-16970. Online Text (Sept. 26, 2019) |
| 189. |
Xu Y, Sun Q, Tan T-D, Yang M-Y, Yuan P, Wu S-Q, Lu X*, Hong X, Ye L-W*,
Organocatalytic Enantioselective Conia-Ene-Type Carbocyclization of Ynamide-Cyclohexanones: Regiodivergent Synthesis of Morphans and Normorphans. Angew. Chem. Int. Ed., 2019£¬131(45), 16398-16405. Online Text (Aug. 24, 2019) or Online Text |
| 188. |
Li YL, Lai RC, Luo X, Liu X, Ding T, Lu X, Wu KF*,
On the absence of a phonon bottleneck in strongly confined CsPbBr3 perovskite nanocrystals, Chemical Science, 2019, 10(23): 5983-5989. Online Text (Jun. 21, 2019) |
| 187. |
Duan XP, Ning LC, Yin Y, Huang YT, Gao J, Lin HQ, Tan K, Fang HH, Ye LM, Lu X*, Yuan YZ*,
Sulfur Moiety as a Double-Edged Sword for Realizing Ultrafine Supported Metal Nanoclusters with a Cationic Nature ACS Appl. Mater. & Interf., 2019, 11(12), 11317-11326, Online Text (Mar. 27, 2019) or Online Text |
| 186. |
Shu C, Shi C-Y, Sun Q, Zhou B, Li T-Y, He Q, Lu X*, Liu RS,Ye LW*.
Generation of Endocyclic Vinyl Carbene Complexes via Gold-Catalyzed Oxidative Cyclization of Terminal Diynes: Towards Naphthoquinones and Carbazolequinones. ACS Catal., 2019, 9(2),1019-1025. Online Text(Dec. 24, 2018) |
| 185. |
Li YL, Ding T, Chen ZW, Liu X, Lu X*, Wu KF*.
Biexciton Auger recombination in mono-dispersed, quantum-confined CsPbBr3 perovskite nanocrystals obeys universal volume-scaling. Nano Research, 2019£¬12(3), 619-623. Online Text( Mar. 2019) |
| 184. |
Wang YH, Wu AA, Tan K, Lu X*,
Metal-Catalyzed Alkyne Oxidation/C-H Functionalization: Effects of Oxidant, Temperature and Metal Catalyst on Chemoselectivity J. Comput. Chem., 2019, 40(9),1038-1044. Online Text(Oct. 9, 2018) |
| 183. |
Chen D, Wu AA, Tan K, Lu X*,
Theoretical investigation of adsorption of CO, H2O and O2 on Rh-ZSM-5 zeolite. J. Xiamen Univ. (Natural Sci.) , 2019, 58(6),833-839. Online Text(Nov. 2, 2018) |
| 182. |
Zhang GR, Ning LC, Tan K, Lu X*,
Acetylene Hydrochlorination Catalyzed by AuCl3 anchored by Carboxylic Group on Activated Carbon: A Theoretical Investigation. J. Xiamen Univ. (Natural Sci.) , 2019, 58(4), 464-470. Online Text(Nov. 2, 2018) |
2018 |
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| 181. |
Jadhav PD, Lu X, Liu RS*
Gold-catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2- Benzisoxazoles with Ligand-Controlled Chemoselectivity ACS Catal., 2018, 8(10), 9697-9701. Online Text(Sept. 20, 2018) |
| 180. |
Zhu XQ, Yuan H, Sun Q, Zhang B, Han XQ, Zhang ZX, Lu X*, Ye LW*
Benign catalysis with zinc: atom-economical and divergent synthesis of nitrogen heterocycles by formal [3+2] annulation of isoxazoles with ynol ethers Green Chem., 2018,20(18), 4287-4291. Online Text(Aug. 21, 2018) |
| 179. |
Wang CM, Qi LJ, Zhou B, Sun Q, Zhang ZX, Shi ZF, Lin SC, Lu X*, Gong L, Ye LW*,
Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles Green Chem., 2018, 20(14), 3271-3278. Online Text(Jun. 19, 2018) |
| 178. |
Zhu XQ, Sun Q, Zhang ZX,Zhou B, Xie PX, Shen WB, Lu X*, Zhou JM, Ye LW*,
Zinc-catalyzed reaction of isoxazoles with thioynol ethers involving an unprecedented 1,2-sulfur migration ChemComm , 2018, (54), 7435-7438. Online Text (Jul. 11, 2018) |
| 177. |
Ye CX, Melcamu YY, Li HH, Cheng JT, Zhang TT, Ruan YP, Zheng X*, Lu X*, Huang PQ*,
Dual Catalysis for Enantioselective Convergent Synthesis of Enantiopure Vicinal Amino Alcohols Nature Commun., 2018, 9, 410. Online Text (Jan. 29, 2018) or Online Text |
| 176. |
Hou ZW, Mao ZY, Melcamu YY, Lu X*, Xu HC*,
Electrochemical Synthesis of Imidazo-Fused N-Heteroaromatics via C-N Bond Forming Radical Cascade. Angew. Chem. Int. Ed., 2018, 57(6), 1636-1639. Online Text (Feb. 5, 2018) or Online Text |
2017 |
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| 175. |
Xie YQ,Sun Q,Fu YW,Song L,Liang J, Xu X, Wang HT,Li JH, Tu S*, Lu X*, Li J*,
Sponge-like Quaternary Ammonium-based Poly(ionic liquid)s: Toward High CO2 Capture and Efficient Cycloaddition at Mild Conditions J. Mater. Chem. A , 2017, 5, 25594-25600. Online Text(Dec. 28, 2017) |
| 174. |
Shen WB, Sun Q, Zhou B, Liu X, Yan JZ, Lu X*, Ye LW*,
Divergent Synthesis of N-heterocycles via Controllable Cyclization of Azido-diynes Catalyzed by Copper and Gold Nature Commun., 2017, 8, 1748. Online Text (Nov. 23, 2017) |
| 173. |
Zhu CQ, Wu JJ, Li SY, Yang YH, Zhu J, Lu X, Xia HP*,
Synthesis and Characterization of Metallacyclic Framework with Three Fused Five-membered Rings. Angew. Chem. Int. Ed., 2017, 56(31), 5067-5071. Online Text (Jul. 24, 2017) |
| 172. |
Li L, Chen XM, Wang ZS, Zhou B, Liu X, Lu X*, Ye LW*,
Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and ¦Â-Carbolines and DFT Calculations ACS Catal., 2017, 7(6), 4004-4010. Online Text (May 4, 2017) |
| 171. |
Zhou YB, Wang YQ, Ning LC, Ding ZC, Wang WL, Ding CK, Li RH, Chen JJ, Lu X, Ding YJ*, Zhan ZP*,
Conjugated Microporous Polymer as Heterogeneous Ligand for Highly Selective Oxidative Heck Reaction. J. Am. Chem. Soc., 2017, 139(11), 3966-3969. Online text (Mar. 22, 2017) |
| 170. |
Shen WB, Xiao XY, Sun Q, Zhou B, Zhu XQ, Yan JZ, Lu X*, Ye LW*,
Highly Site Selective Formal [5+2] and [4+2] Annulations of Isoxazoles with Heterosubstituted Alkynes by Platinum Catalysis: Rapid Access to Functionalized 1,3-Oxazepines and 2,5-Dihydropyridines Angew. Chem. Int. Ed., 2017, 56(2), 605-609. Online Text (Jan. 9, 2017) |
2016 |
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| 169. |
Zhu CQ,Yang CX, Wang YH, Lin G,Yang YH, Wang XY, Zhu J, Chen XY, Lu X*, Liu G*, Xia HP*
CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties. Sci. Adv., 2016, 2(8), e1601031. Online text |
| 168. |
Shu C, Wang YH, Shen CH, Ruan PP, Lu X*, Ye LW*,
Gold-Catalyzed Intermolecular Ynamide Amination-Initiated Aza-Nazarov Cyclization: Access to Functionalized 2-Aminopyrroles Org. Lett., 2016,18(13), 3254-3257. Online Text |
| 167. |
Shu C, Shen CH, Wang YH, Li L, Li T, Lu X*, Ye LW*,
Synthesis of 2-Aza-1,3-butadienes through Gold-Catalyzed Intermolecular Ynamide Amination/C-H Functionalization Org. Lett., 2016,18(18), 4630-4633. Online Text |
| 166. |
Pan F, Li XL, Chen XM, Shu C,Ruan PP, Shen CH, Lu X*, Ye LW*,
Catalytic Ynamide Oxidation Strategy for the Preparation of alpha-Functionalized Amides ACS Catal., 2016,6(9), 6055-6062. Online text |
| 165. |
Hou ZW, Mao ZY, Zhao HB, Melcamu YY, Lu X*, Song JS, Xu HC*,
Electrochemical C-H/N-H Functionalization for the Synthesis of Highly Functionalized (Aza)indoles Angew. Chem. Int. Ed., 2016,55(32), 9168-9172. online text |
| 164. |
Xiong P,Xu F, Qian XY, Melcamu YY, Song JS, Lu X*, Xu HC*
Copper-Catalyzed Intramolecular Oxidative Amination of Unactivated Internal Alkenes Chem. Eur. J., 2016, 22(13), 4379-4383. Online text |
| 163. | Zhu L, Xiong P, Mao ZY, Wang YH, Yan XM, Lu X, Xu HC*
Electrocatalytic Generation of Amidyl Radicals for Olefin Hydroamidation: Use of Solvent Effects to Enable Anilide Oxidation. Angew. Chem. Int. Ed., 2016, 55(6), 2226-2229. Online text |
| 162. |
Zeng H, Chen XM, Lu X*
Through-space Homoconjugation and Homoaromaticity in S4N4 and Se4N4. J. Xiamen Univ. (Natural Sci.) , 2016, 55(6), 793-796. Online text |
| 161. |
Chen SX, Chen XM, Lu X*
Sigma-aromaticity in Diborane and its congeners. J. Xiamen Univ. (Natural Sci.) , 2016, 55(3), 305-308. Online text |
| 160. |
Wang XC, Wang Y, Yang HY, Fang HX, Chen RX, Sun YB, Zheng NF, Tan K, Lu X, Tian ZQ, Cao XY*.
Assembled molecular face-rotating polyhedral to transfer chirality from two to three dimensions. Nature Commun., 2016, 7, 12469. Online text |
2015 |
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| 159. |
Li L, ZhouB, Wang YH,Shu C, Pan YF, Lu X*, Ye LW*,
Zinc-Catalyzed Alkyne Oxidation/C-H Functionalization: Highly Site-Selective Synthesis of Versatile Isoquinolones and ¦Â-Carbolines, Angew. Chem. Int. Ed., 2015,54(28), 8245-8249. Online text |
| 158. |
Shu C, Wang YH, Zhou B, Li, X L, Ping YF, Lu X*, Ye LW*,
Generation of ¦Á-imino gold carbenes through gold-catalyzed intermolecular reaction of azides with ynamides J. Am. Chem. Soc., 2015,137(30), 9567-9570. Online text |
| 157. |
Zhou AH, He Q, Shu C, Yu YF, Liu S, Zhao T, Zhang W, Lu X*, Ye LW*,
Atom-economic generation of gold carbenes: Gold-catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles Chem. Sci., 2015,6(2), 1265-1271. Online text |
| 156. |
Shu C£¬ Liu RF, Liu S, Li JQ, Yu YF, He Q, Lu X*, Ye LW*,
Practical, modular, and general synthesis of 3-coumaranones through gold-catalyzed intermolecular alkyne oxidation strategy Chem. Asian J., 2015,10(1), 91-95. Online text |
| 155. |
Wang HN,Lu SF, Zhang YW, Lan F, Lu X, Xiang Y*,
Pristine graphene dispersion in solvents and its application as a catalyst support: a combined theoretical and experimental study J. Mater. Chem. A, 2015,3(12), 6282-6285. Online text |
| 154. | Lin W*, Wu A*, Lu X, Tang X, Obenchain DA, Novick S,
Internal dynamics in the molecular complex of CF3CN and H2O. Phys. Chem. Chem. Phys., 2015, 17(26), 17266-17270. Online text |
2014 |
|
| 153. | Ye MQ, Liu RF, Zeng H, Tan K, Lu X*.
Mechanism of Lewis-acid-catalyzed intramolecular coupling of sp(3) C-H bond and alkene: A theoretical investigation. J. Theor. & Comput. Chem., 2014, 13(2), 1450015. Online text |
| 152. | Wu X, Tan K, Tang ZC*,Lu X*,
Hydrogen bonding in microsolvation: photoelectron imaging and theoretical studies on Au-x(-)-(H2O)(n) and Au-x(-)-(CH3OH)(n) (x=1, 2; n=1, 2) complexes, Phys. Chem. Chem. Phys., 2014, 16(10), 4771-4777. Online text |
| 151. | Zhu CQ, Luo M, Zhu Q, *Zhu J, Schleyer PvR, Wu JC, Lu X, Xia HP*.
Planar Mobius Aromatic Pentalenes Incorporating 16 and 18 Valence Electron Osmiums. Nature Commun., 2014, 5, 3265. Online text |
2013 |
|
| 150. | Tan YZ, Li J, Du MY, Lin SC, Xie SY*, Lu X*, Huang RB Zheng LS.
Exohedrally stabilized C-70 isomer with adjacent pentagons characterized by crystallography. Chem. Sci., 2013, 4(7), 2967-2970. Online Text |
| 149. | Zhu CQ, Li SH, Luo M, Zhou XX, Niu YF, Lin ML, Zhu J*, Cao ZX, Lu X, Wen TB, Xie ZX,
Schleyer PvR, Xia HP*.
Stabilizing Antiaromatic and Strained Five-membered Rings by a Transition Metal Nature Chem., 2013, 5, 698-703. Online Text |
| 148. | Xiao X, Liu CY*, He Q, Han MJ, Meng M, Lei H, Lu X*.
Control of the Charge Distribution and Modulation of the Class II-III Transition in Weakly Coupled Mo-2-Mo-2 Systems. Inorg. Chem., 2013, 52(21), 12624-12633. Online text |
| 147. | Deng LL, Xie SL, Yuan C, Liu RF, Feng J, Sun LC, Lu X, Xie SY*, Huang, RB, Zheng LS
High LUMO energy level C-60(OCH3)(4) derivatives: Electronic acceptors for photovoltaic cells with higher open-circuit voltage Solar Energy Mater. & Solar Cells, 2013,111, 193-199. Online text |
| 146. | Ding KN*, Xia XZ, Lu X*, Li JQ,
DFT Investigation of the Adsorption/dissociation Mechanisms of Methyl Nitrite on the Pd(111) Surface. Chin. J. Struct. Chem., 2013, 32(6), 936-948. Online text |
2012 |
|
| 145. | Liu ZL, Xie H, Qin ZB, Cong R, Wu X, Tang ZC*, *Lu X, He J.
Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)n- (n=1-3): Experiment and theory. J. Chem. Phys., 2012, 137(20), 204302. Online text |
| 144. | Wu JY, Wang TS*, Shu CY, Lu X, Wang CR.
Identification of the Most Stable Sc2C80 Isomers: Structure, Electronic Property, and Molecular Spectra Investigations, Chin. J. Chem., 2012, 30(4), 765-770. Online text |
| 143. | Li C, Zhu L, Zhu Z,Fu H, Jenkins G, Wang CM,Zou Y, Lu X, Yang CJ*,
Backbone modification promotes peroxidase activity of G-quadruplex-based DNAzyme, Chem. Commun., 2012, 48(67), 8347-8349. Online text |
| 142. | Chen ZF*, Wu JI, Corminboeuf C, Bohmann J, Lu X, Hirsch A, Schleyer PvR.
Is C-60 buckminsterfullerene aromatic? Phys. Chem. Chem. Phys., 2012,14(43), 14886-14891. Online text |
| 141. | Chen JH, Gao ZY, Weng QH, Jiang WS, He Q, Liang H,
Deng LL, Xie SL, Huang HY, Lu X, Xie SY*, Shi K*, Huang RB, Zheng LS
Combustion Synthesis and Electrochemical Properties of Small Hydrofullerene C50H10. Chem. Eur. J. , 2012,18(11), 3408-3415. Online text |
| 140. | Zhou YH, Tan K, Lu X*
Insights into the Solvato-/thermo-promoted Intramolecular Electron Transfer in a TTF-sigma-TCNQ Dyad with an Extremely Low HOMO-LUMO Gap J. Theor. & Comput. Chem. , 2012, 11(3), 599-609. Online text |
| 139. | Zhou YH, Tan K, Lu X*
Chameleon ground state and Excited States of EDT-TTF-Im-F4TCNQ radical dyad in Different Environments. J. Theor. & Comput. Chem. , 2012, 11(3), 505-525. Online text |
2011 |
|
| 138. | Tan YZ, Chen RT, Liao ZJ, Li J, Zhu F, Lu X, Xie SY*, Li J*, Huang R-B, Zheng L-S
Carbon arc production of heptagon-containing fullerene[68]. Nature Commun., , 2011, 2, 420. (Online Text) |
| 137. | Weng QH, Qiao H, Sun D, Huang H-Y, Xie SY*, Lu X*, Huang R-B, Zheng L-S
Separation and Characterization of C70(C14H10) and C70(C5H6) from an Acetylene¨CBenzene¨COxygen Flame. J. Phys. Chem., C , 2011, 115(22), 11016-11022 (Online Text) |
| 136. | Wu X, Xie H, Qin ZB, Tan K, Tang ZC*,Lu X*
Photoelectron Imaging and Theoretical Studies of Silver Monohalides AgX¨C (X = Cl, Br, I) and AuCl¨C. J. Phys. Chem., A , 2011, 115(24), 6321-6326. (Online Text) |
| 135. | Wang WJ, He Q, Zhong FT, Liu CY,* Lu X*, Murillo CA*
Experimental and Theoretical Evidence of Aromatic Behavior in Heterobenzene-like Molecules having Metal¨CMetal Multiple Bonds. Chem. Eur. J. , 2011, 17(37), 10288-10296. (Online Text) |
| 134. | Liang XH, Wu X, Dong T, Qin ZB, Tan K, Lu X*, Tang ZC*
Dinitrogen-ligated Triaurum Cation, Aurodiazenylium, Auronitrenium, Auroammonia and Auroammonium. Angew. Chem. Int. Ed. , 2011, 50(9), 2166-2170; Angew. Chem. , 2011, 123(9), 2214-2218. (Online Text) |
2010 |
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| 133. | An DL, Wang JJ, Dong T, Yang Y, Wen TB, Zhu HP*, Lu X*, Wang Y
Mononuclear Bis(imino)arylcopper(I) N-Heterocyclic Carbene Complex: Synthesis, Structure, and Reaction with Organic Azide Eur. J. Inorg. Chem. , 2010, 4506-4512. (Online Text) |
| 132. | Wang TS, Feng L, Wu JY, Xu W, Xiang JF, Tan K, Ma YH, Zheng JP, Jiang L, Lu X*, Shu CY*, Wang CR*
Planar Quinary-Cluster inside a Fullerene Cage : Synthesis and Structural Characterizations of Sc3NC@C80-Ih. J. Am. Chem. Soc. , 2010, 132, 16362-16364.(Communication) (Online Text) |
| 131. | Tan YZ, Li J, Zhu F, Han X, Jiang WS, Huang RB, Zheng ZP, Qian ZZ, Chen RT, Liao ZJ, Xie SY*, Lu X*, Zheng LS.
Chlorofullerenes featuring triple sequentially fused pentagons Nature Chemistry , 2010, 2, 269-273. (Cover article) (Online Text) |
| 130. | Weng QH, He Q, Liu T, Huang HY, Chen JH, Gao, ZY, Xie SY*, Lu X*, Huang RB, Zheng LS
Simple Combustion Production and Characterization of Octahydro[60]fullerene with a Non-IPR C60 Cage J. Am. Chem. Soc. , 2010,132, 15093-15095. (Communication) (Online Text) |
| 129. | Tan YZ, Li J, Zhou T, Peng YQ, Lin SC, Lu X, Zhan ZP, Xie SY*, Huang RB, Zheng LS
Pentagon-Fused Hollow Fullerene in C78 Family Retrieved by Chlorination J. Am. Chem. Soc. , 2010, 132, 12648-12652. (Communication) (Online Text) |
| 128. | Chivers T*, Hilts R W, Jin P, Chen ZF*, Lu X*
Synthesis, ,Properties, and Bishomoaromaticity of the First Tetrahalogenated Derivative of a 1,5-Diphosphadithiatetrazocine: A Combined Experimental and Computational Investigation Inorg. Chem., 2010,49, 3810-3815. (Online Text) |
| 127. | Jin P, Zhou Z, Hao C, Gao ZX, Tan K, Lu X*, Chen ZF*
NC unit trapped by fullerenes: a density functional theory study on Sc3NC@C2n (2n=68, 78 and 80) Phys. Chem. Chem. Phys. , 2010, 12(39), 12442-12449. (Online Text) |
| 126. | Zhang Q*, Song LC, Lu X, Huang RB, Zheng LS
The odd-even alternation of heteroatom-doped carbon clusters AuCn- (n <= 12): Experimental observations and density functional studies J. Mol. Struct. , 2010, 967, 153-158. Online Text |
| 125. | Wang TS, Wu JY, Xu W, Xiang JF, Lu X, Li B, Jiang L, Shu CY*, Wang CR*
Spin Divergence Induced by Exohedral Modification: ESR Study of Sc3C2@C80 Fulleropyrrolidine ANGEW. CHEM.-INT. ED. , 2010,49, 1786-1789. ANGEW. CHEM. , 2010,122(10), 1830-1833. (Communication) Online Text |
| 124. | Li B, Shu CY*, Lu X*, Dunsch L, Chen ZF, Dennis TJS, Shi ZQ, Jiang L, Wang TS, Xu W, Wang CR*
Addition of Carbene to the Equator C70 To Produce the Most Stable C71H2 Isomer: 2aH-2(12)a-Homo(C70-D5h(6))[5,6]fullerene ANGEW. CHEM.-INT. ED. , 2010, 49, 962-966; ANGEW. CHEM., 2010, 122(5), 974-978. (Communication) Online Text Highlighted by Nature China, Cheung F., ¡°In search for a stable isomer¡±, Published online: 13 January 2010, doi:10.1038/nchina.2010.4. |
2009 |
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| 123. | Zhang Q, Yue SP, Lu X*, Chen ZF*, Huang RB, Zheng LS, Schleyer PvR,
Homoconjugation/Homoaromaticity in Main Group Inorganic Molecules J. Am. Chem. Soc. , 2009, 131, 9789-9799. (Online Text) Featured by Rzepa, H. S. The importance of being bonded, Nature Chemistry, 2009, 1, 510-512. |
| 122. | Wang TS, Chen N, Xiang JF, Li B, Wu JY, Xu W, Jiang L, Tan K, Shu CY*, Lu X*, Wang CR*
Russian-Doll-Type Metal Carbide Endofullerene: Synthesis, Isolation, and Characterization of Sc4C2@C80. J. Am. Chem. Soc. , 2009,131, 16646-16647. (Communication) (Online Text) Hilighted by Withers N. Endohedral fullerenes: Cage within a cage, Nature Chemistry, 2010, 2, 4-5. doi:10.1038/nchem.476 Hilighted by Brindley L. Playing with "Russian-Doll" Fullerenes, Chemistry World, 2009, 6(12). Hilighted by Halford B. Metallofullerene Matryoshka, Chem. & Eng. News, 2009, 87(45), 40. |
2008 |
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| 121. | Tan YZ, Han X, Wu X, Meng YY, Zhu F, Qian ZZ, Liao ZJ, Chen MH, Lu X, Xie SY*, Huang RB, Zheng LS
An Entrant of Smaller Fullerene: C56 Captured by Chlorines and Aligned in Linear Chains J. Am. Chem. Soc. , 2008, 130, 15240-15241. (Communication) (Online Text) |
| 120. | Tan YZ, Liao ZJ, Qian ZZ, Chen RT, Wu X, Liang H, Han X, Meng YY, Zhu F, Zhou SJ, Zheng ZP, Lu X, Xie SY*, Huang RB, Zheng LS
Two Ih-symmetry-breaking C60 isomers stabilized by chlorination Nature Material, 2008,7, 790-794. (Online Text) |
| 119. | Han X, Zhou SJ, Tan YZ, Wu X, Gao F, Liao ZJ, Huang RB, Feng YQ, Lu X, Xie SY*, Zheng LS
Crystal structures of Saturn-like C50Cl10 and pineapple-shaped C64Cl4: Geometric implications of double- and triple-pentagon-fused chlorofullerenes ANGEW. CHEM.-INT. ED. , 2008,47, 5340-5343. (Communication) Online Text ANGEW. CHEM. , 2008,120(29), 5420-5423. Online Text |
| 118. | Hu YF,Lu X*
Relative stability of the key enamine, oxazolidinone, and imine intermediates in some proline-catalyzed asymmetric reactions Chin. J. Struct. Chem. , 2008, 27, 547-552. |
| 117. | Zheng A, Zhang H, Lu X, Liu SB, Deng F*
Theoretical predictions of P-31 NMR chemical shift threshold of trimethylphosphine oxide absorbed on solid acid catalysts J. Phys. Chem. B , 2008,112, 4496-4505. (Online Text) |
| 116. | Zhang HL, Zheng AM, Yu HG, Li SH, Lu X, Deng F*
Formation, location, and photocatalytic reactivity of methoxy species on Keggin 12-H3PW12O40: A joint solid-state NMR spectroscopy and DFT calculation study. J. Phys. Chem. C , 2008,112, 15765-15770. (Online Text) |
2007 |
|
| 115. | X. Wu, X. Lu*
Dimetallofullerene U2@C60 Has a U-U Multiple Bond Consisting of Sixfold One-Electron-Two-Center Bonds J. Am. Chem. Soc. , 2007,129, 2171-2177. (Online Text) |
| 114. | N. Chen, L. Z. Fan, K. Tan, Y. Q. Wu, C.Y. Shu, X. Lu*, C.-R. Wang,*
Comparative spectroscopic and reactivity studies of Sc3-xYxN@C80 (x = 0-3) J. Phys. Chem. C, 2007, 111, 11823-11828. (Online Text) |
| 113. | X.F. Li, L. Z. Fan, D. F. Liu, H.H.Y. Sung, I. D. Williams, S. Yang, K. Tan, X. Lu
Synthesis of a Dy@C-82 derivative bearing a single phosphorus substituent via a zwitterion approach J. Am. Chem. Soc. , 2007,129, 10636-10637. (Communication) (Online Text) |
| 112 | N. Chen, E.-Y. Zhang, K. Tan, C.-R. Wang,* X. Lu*
Size Effect of Encaged Clusters on the Exohedral Chemistry of Endohedral Fullerenes: A Case Study on the Pyrrolidino Reaction of ScxGd3-xN@C80 (x = 0-3) Org. Lett. , 2007, 9, 2011-2013. (Online Text) |
| 111. | Chen Z*, Jiang DE*, X. Lu, Bettinger HF,, Dai S,, Schleyer PV,, Houk KN
Open-shell singlet character of cyclacenes and short zigzag nanotubes Org. Lett. , 2007, 9, 5449-5452. (Online Text) |
| 110 | J.-L. Ye, P.-Q. Huang*, X. Lu*
Mechanism for the Regioselective Asymmetric Addition of Grignard Reagents to Malimides: A Computational Exploration J. Org. Chem. , 2007, 72, 35-42. (Online Text) |
| 109. | A. Zheng, L. Wang, L. Chen, Y. Yue, C. Ye, X. Lu, F. Deng,*
High Activity of Amine-Doped H-ZSM-5 Zeolite in Ethene Protonation: Revealed by Embedding Calculations ChemPhysChem , 2007, 8, 231-134. Online Text |
| 108. | X. Wu, X. Lu*, K. Tan, Q. Zhang,
The Structures and Electronic Properties of M2C2@C78 (M=Ti,Zr,Hf): A DFT Exploration (Invited contribution to the special issue on Carbon nanotubes and Fullerenes) J. NanoSci. & Nanotech., 2007, 7, 1346-1352. |
2006 |
|
| 107. | K. Tan, X. Lu*, C.R. Wang,
Unprecedented m4-C26- Anion in the Endofullerene Sc4C2@C80. J. Phys. Chem. B, 2006, 110, 11098-11102. (Online Text) |
| 106. | H. Zhai, H. Lin, X. Lu, X. Xia,
Highly Efficient Amination of Benzene to Aniline Mediated by Bromine with Metal Oxide as Cataloreactant Chem. Lett., 2006, 35(12), 1358-1369. |
| 105. | Z. Guo, X. Lu*
Mechanism and Regioselectivity for the Attachment of Propylene Oxide onto X(100)-2X1 Surfaces (X=C, Si, Ge) J. Phys. Chem. B, 2006, 110, 10461-10466. (Online Text) |
| 104. | C.-R. Wang,* Z.-Q. Shi, L.J. Wan, X. Lu*, L. Dunsch, H. Shinohara,
C64H4: Production, Isolation and Structural Characterizations of a Stable Unconventional Fulleride J. Am. Chem. Soc., 2006, 128, 6605-6610. (Online Text) |
| 103. | Zhi-Qiang Shi, Xin Wu, Chun-Ru Wang,* X. Lu* Hisanori Shinohara,
Isolation and Characterization of Sc2C2@C68: the Smallest Metal-Carbide Endohedral Fullerene Angew. Chem., 2006, 118, 2161-2165; Angew. Chem. Int. Ed. 2006, 45, 2107-2111. (Communication) Online Text |
| 102. | Q. Zhang, X. Lu*, R. B. Huang, L.S. Zheng,
Pericyclic Transition-State-like Aromaticity in the Inorganic Ions Se2I42+ and S2O42-. Inorg. Chem., 2006, 45, 2457-2460. (Online Text) |
| 101. | Z. Slanina, Z. Chen,* P. v. R. Schleyer, F. Uhlik, X. Lu, S. Nagase
La2@C72 and Sc2@C72: Computational Characterizations. J. Phys. Chem. A, 2006,110, 2231-2234. (Online Text) |
| 100. | K. Tan, X. Lu*
The Electronic Structure and Redox properties of the Open-shell Endofullerene Sc3C2@C80: A Density Functional Theory Invesitgation J. Phys. Chem. A., 2006, 110, 1171-1176. (Online Text) |
2005 |
|
| 99. | Lu X*, Chen ZF*
Curved Pi-Conjugation and the Related Chemistry of Small Fullerenes ( smaller than C60) and Single-Wall Carbon Nanotubes. Chem. Rev., 105 (2005), 3643-3696. (Online Text) |
| 98. | X. Wang, Z.X. Cao, X. Lu, M. H. Lin, Q.E. Zhang,
Structure and Stability of Binary Transition-Metal Clusters (NbCo)n (n <= 5): A Relativistic Density-Functional Study. J. Chem. Phys., 2005, 123, 064316. (Online Text) |
| 97. | K. Tan, X. Lu*
Ti2C80 is More Likely a Titanium Carbide Endohedral Metallofullerene (Ti2C2)@C78. Chem. Commun., 2005, (35), 4444-4446. (Online Text) |
| 96. | J. Yang, A. Zheng, M. Zhang, Q. Luo, Y. Yue, C. Ye, X. Lu, and F. Deng*
Bronsted and Lewis Acidity of the BF3/Al2O3 Alkylation Catalyst as Revealed by Solid-State NMR Spectroscopy and DFT Quantum Chemical Calculations. J. Phys. Chem. B., 2005, 109, 13124-13131. (Online Text) |
| 95. | A. Zheng, L. Chen, J. Yang, Y. Yue, C. Ye, X. Lu, F. Deng
Prediction of the 13C NMR chemical shifts of organic species adsorbed on H-ZSM-5 zeolite by the ONIOM-GIAO method Chem. Comm., 2005, (19), 2474-2476. (Online Text) |
| 94. | G. Fu, X. Xu,* X. Lu, H.L. Wan*,
Mechanisms of Initial Propane Activation on Molybdenum Oxides: A Density Functional Theory Study J. Phys. Chem. B.,2005, 109 , 6416-6421. (Online Text) |
| 93. | G. Fu, X. Xu,* X. Lu, H.L. Wan,*
Mechanisms of Methane Activation and Transformation on Molybdenum Oxide Based Catalysts J. Am. Chem. Soc., 2005, 127 , 3989-3996. (Online Text) |
| 92. | X. Lu*, Z. Chen, P. v. R. Schleyer,
Are the Stone-Wales Defects Always More Reactive than Perfect Sites in the Sidewalls of Single-Wall Carbon Nanotubes. J. Am. Chem. Soc., 127 (2005), 20-21. (Online Text) |
2004 |
|
| 91. | X. Lu*, Z. Chen*, P. v. R. Schleyer, W. Thiel, R. B. Huang, L. S. Zheng,
Properties of fullerene[50] and D5h decachlorofullerene[50]: A Computational Study J. Am. Chem. Soc., 2004, 126, 14871-14878. (Online Text) |
| 90. | Hai Gou Huang, X. Lu,Chao Li Xiang, Tang Lin Teo, Yee Hing Lai and Guo Qin Xu
The formation of an enynic-like intermediate in diacetylene binding on Si(1 0 0)-2X1 Chem. Phys. Lett., 2004, 398, 11-14. (Online Text) |
| 89. | X. Lu*,
Can Nitroso ene reaction proceed concertedly? Org. Lett., 6 (2004) 2813-1815. (Online Text) |
| 88. | X. Lu*, M. Zhu,
Beyond the intradimer [2+2] cycloaddition chemistry of ethylene on Si(100): Theoretical evidence on the occurrence of interdimer reaction Chem. Phys. Lett., 393 (2004) 124-127. Online text |
| 87. | F. Xia, Y.Z. Lin, Z.X. Xu, J.D. Lin, X. Lu, D. W. Liao,
Electronic states and spectroscopic properties of RuH2 and RuN2 Chin. J. Chem. Phys., 17 (2004) 139-142. |
| 86. | S.Y. Xie, F. Gao, X. Lu, R. B. Huang, C.R. Wang, S.L. Deng, X. Zhang,
M.L. Liu, L.S. Zheng,
Capturing the Labile Fullerene[50] as C50Cl10 Science, 2004, 304, 699. Online Text |
| 85. | X. Lu*, M. Zhu, X. Wang,
Diradical Mechanisms for the Cycloaddition Chemistry of Ethylene on X(100) Surfaces (X=C,Si,Ge) J. Phys. Chem. B., 2004, 108, 7359-7362. (Online Text) |
| 84. | Xin Xu, Chaojie Wang, Zhaoxiong Xie, X. Lu, Mingshu Chen and Kenichi Tanaka,
Adsorbate lone-pair-electron stimulated charge transfer between surface dangling bonds: methanol chemisorption on Si(1 1 1)-7x7. Chem. Phys. Lett., 2004, 388, 190-194. (Online Text) |
| 83. | Xu X*, Lu X, Wang NQ, Zhang QE
Cluster Modeling of Chemisorption and Reactions on Metal Oxide Surfaces Acta Physico-Chimica Sinica (20th anniversary special issue), 20 (2004) 1045-1054. |
| 82. | X. Lu*, M. Zhu, X. Wang, Q. Zhang
Producing Reactive Species on Si(100), Ge(100) and Si(111)-7¡Á7 Surfaces by Attachments of Diacetylenes J. Phys. Chem. B., 2004, 108, 4478-4484. (Online Text) |
2003 |
|
| 81. | X. Lu*, Q. Yuan, Q. Zhang
Sidewall-Epoxidation of Single-Walled Carbon Nanotubes. Org. Lett., 2003, 5, 3527-3530. (Online Text) |
| 80. | X. Lu*, F. Tian, X. Xu, N. Wang, Q. Zhang,
A Theoretical Exploration of the 1,3-Dipolar Cycloadditions onto the Sidewalls of (n,n) Armchair Single-Wall Carbon Nanotubes. (Online Text) J. Am. Chem. Soc.,2003, 125, 10459-10464. |
| 79. | F. Xia, Y.Z. Lin, Z.X. Xu, J.D. Lin, X. Lu, D.W. Liao,
Theoretical Computation on Ru2N2 Cluster with C2V Symmetry. Acta Phys.-Chim. Sin.,2003, 19, 1119-1122. |
| 78. | X. Lu*, F. Tian, Q. Zhang,
The [2+1] Cycloadditions of dichlorocarbene, Silylene, Germylene and Oxycarbonylnitrene onto the Sidewall of Armchair (5,5) Single-Wall Carbon Nanotube J. Phys. Chem. B., 2003,107, 8388-8391. (Online Text) |
| 77. | Zheng Su, X. Lu*, Q. Zhang,
Chemisorption of NO on Si(111)-7x7 Surface: A DFT Study Chem. Phys. Lett.,2003, 375, 106-112. |
| 76. | X. Lu*, X. Wang, Q. Yuan, Q. Zhang,
Diradical Mechanisms for the Cycloaddition Reactions of 1,3-butadiene, benzene, thiophene, ethylene and acetylene on Si(111)-7x7 Surface (Online Text) J. Am. Chem. Soc., 2003, 125 , 7923-7929. |
| 75. | Lasheng Long, X. Lu*, F. Tian, Q. Zhang,
Hydroboration of C(100) Surface, Fullerene, and the Sidewalls of Single-wall Carbon Nanotubes with Borane J. Org. Chem., 2003, 68, 4495-4498. (Online Text) |
| 74. | X. Lu*
Diradical Mechanism for the [2+2] Cycloaddition of Ethylene on Si(100) Surface J. Am. Chem. Soc., 2003, 125, 6384-6385. (Online Text) |
| 73. | X. Lu*, Z. Su, X. Xu, N. Wang, Q. Zhang,
The Chemistry of HN3 on Ge(100)-2x1: A Theoretical Study. Chem. Phys. Lett., 2003, 371, 172-177. |
2002 |
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| 72. | Lu X*, Lin MC,
Reactions of Some [C,N,O]-Containing Molecules with Silicon Surfaces: Experimental and Theoretical Studies. (Review) Int. Rev. Phys. Chem., 21 (2002), 137-184. |
| 71. | X. Lu*, F. Tian, N. Wang, Q. Zhang,
Organic Functionalization of the Sidewalls of Single-Wall Carbon Nanotubes by Diels-Alder Reactions: A Theoretical Prediction. Org. Lett., 2002, 4, 4313-4315. (Online Text) |
| 70. | X. Lu*, F. Tian, Y.B. Feng, X. Xu, N. Wang, Q. Zhang,
Sidewall oxidation and complexation of carbon nanotubes by base-catalyzed cycloadditions of transition metal oxide: A theoretical prediction. Nano Lett., 2002, 2, 1325-1327. (Online Text) |
| 69. | Z.X. Xie, Y. Uematsu, X. Lu, K. Tanaka,
Dissociation mechanism of methanol on a Si(111)-7x7 surface studied by the scanning tunneling microscopy. Phys. Rev. B, 2002, 66, 125306. |
| 68. | G. Fu, X. Lu, X. Xu, H.L. Wan,
The UBI-QEP Study of CO Activation on the Metal Surfaces Chem. J. Chin. Univ. (Chinese), 2002, 23, 1570-1573. |
| 67. | H.Y. Wang, X. Lu*, R.B. Huang, L.S. Zheng*,
Theoretical Studies of XCnX (X=O, S, Se; n=1~8): Structures, Spectroscopic Properties, and Dissociation Energies J. Mol. Struct. (Theochem) , 2002, 593, 187-197. |
| 66. | X. Chen, C. Yi, M. Li, X. Lu, Z. Li, P. Li, X. Wang,
Determination of sophoridine and related lupin alkaloids using the tris(2,2'-bipyridine) ruthenium electrogenerated chemiluminescence Anal. Chim. Acta, 2002, 466, 79-86. |
| 65. | L. Dai, Y. Xu, J.-Y. Gal, X. Lu, H. Wu,
m-Cholroaniline emulsion polymerization, macromolecular chain structure and electrochemical properties. Polym. Int., 2002, 51, 547. |
| 64. | J. Lai, X. Lu*, L.S. Zheng*,
Convergence from Clusters to the Bulk Solid: An Ab Initio Investigation of Clusters NanCln (n=2-40) PhysChemComm, 2002, 5, 82-87. |
| 63. | H.B. Luo, J. M. Wu*, X. Lu*, M.D. Chen,
Z.J. Qiu,
The Establishment and Technical Approach of PC-Cluster. Computer and Applied Chemistry(Chinese),2002, 19, 116-121. |
| 62. | R.B. Huang, X. Lu, N.F. Zheng, Y.S. Zou, S.L. Deng, H.P. Zhong,
S.Y. Xie, L.S. Long, L.S. Zheng,
Synthesis, Structural Characterization and ab inito Calculation of Dipyridyltetraazathiapentalene: A Highly Conjugative Polycyclic Molecule with Hypervalent N-S-N Bond J. Mol. Struct. , 2002, 610, 265-270. |
| 61. | X. Lu*, X. Xu, N. Wang, Q. Zhang, M.C. Lin,
High Charge Flexibility of the Surface Dangling Bond States on the Si(111)-7x7 Surface and NH3 Chemisorption: A DFT Study Chem. Phys. Lett. , 2002, 355, 365-370. |
| 60. | X. Lu*, L. Zhang, X. Xu, N. Wang, Q. Zhang,
Can the Sidewalls of Single-Wall Carbon Nanotubes be Ozonized? (Letter). J. Phys. Chem. B,2002, 106, 2136-2139. (Online Text) |
| 59. | X. Lu*, X. Xu, N. Wang, Q. Zhang,
Functionalization of the C(100)-2X1 Surface by 1,3-Dipolar Cycloadditions: A Theoretical Prediction. J. Phys. Chem. B, 2002, 106, 5972-5974. (Online Text) |
| 58. | X. Lu*, X. Xu, N. Wang, Q. Zhang,
Chemisorption of Acetonitrile, Pyridine and Pyrazine on the Si(100)-2x1 Surface: Theoretical Predictions. New J. Chem., 2002, 26, 160-164. |
| 57. | X. Lu*, X. Xu, N. Wang, Q. Zhang
A DFT Study of the 1,3-Dipolar Cycloadditions on the C(100)-2x1 Surface. J. Org. Chem. , 2002, 67, 515-520. (Online Text) |
2001 |
|
| 56. | X. Lu*, M.-C. Lin, X. Xu, N. Wang, Q. Zhang,
Diels-Alder Cycloadditions of some 6- and 5-member Ring Aromatic Compounds on the on the Si(100)-2x1 Surface: Dependence of the Binding Energies on the Resonance Energies of the Aromatic Compounds. Science in China, B, 2001, 44, 473. |
| 55. | S.H. Cai, Z. Chen, X. Lu, Z.W. Chen, H.L. Wan,
Ab Initio Calculation of 19F NMR Chemical Shielding for Alkaline-Earth-Metal Fluorides. Chin. J. Chem. (English), 2001, 19, 1179-1183. |
| 54. | X. Lu*, X. Xu, N. Wang, Q. Zhang, M.C. Lin*,
Chemisorption and Decomposition of Thiophene and Furan on the Si(100)-2x1 Surface: A Theoretical Study. J. Phys. Chem. B, 2001, 105, 10069. (Online Text) |
53. | X. Lu*, X. Xu, N. Wang, Q. Zhang, M.C. Lin,
A Theoretical Study of HN3 reaction with the C(100)-2x1 surface. Chem. Phys. Lett., 2001, 343, 212. |
| 52. | X. Lu*, M.-C. Lin, X. Xu, N. Wang, Q. Zhang,
Theoretical Study of the [4+2] Cycloadditions of some 6- and 5-member Ring Aromatic Compounds on the on the Si(100)-2x1 Surface: Correlation between Binding Energy and Resonance Energy. PhysChemComm, 2001, 13, 1. |
| 51. | X. Lu*, Q. Zhang, M.C. Lin*,
Adsorptions of Methanol,Formaldehyde and Formic Acid on the Si(100)-2x1 Surface: A Theoretical Study. Phys. Chem. Chem. Phys., 2001, 3, 2156. |
| 50. | F. Bacalzo-Gladden, X. Lu, M.C. Lin,
Adsorption and Reactions of HCN on the Si(100)-2x1 Surface: A Density Functional Study. J. Phys. Chem. B, 2001, 105, 4368. (Online Text) |
| 49. | G. Fu, X. Lu, X. Xu, H.L. Wan,
Energetics of CO2 Activation on Metal Surface. J. Mol. Catal.(China), 2001, 15, 484. |
2000 |
|
| 48. | X. Lu, M.-C. Lin,
Bonding Configurations of C2H2 Chemisorption on the Si(100)-2x1 Surface Predicted by Density Functional Cluster Model Calculations. Phys. Chem. Chem. Phys.(PCCP) 2000, 2, 4213. |
| 47. | X. Lu*, X. Xu, N. Wang, Q. Zhang,
Chemisorption of CO at Strongly Basic Sites of MgO Solid: A Theoretical Study, J. Phys. Chem. B, 2000, 104, 10024. (Online Text) |
| 46. | X. Lu*, Q. Zhang, M.-C. Lin,
Chemisorption of Methanol, Formaldehyde and Formic Acid on the Si(100)-2x1 Surface: A Theoretical Study. Chem. J. Chin. Univ.(supplement), 2000, 21, 424. |
| 45. | X. Lu*, M.C. Lin, Q. Zhang,
Unexpected Chemisorption State of CO2 on the Si(100)-2x1 Surface Predicted by Theory, Chem. J. Chin. Univ.(supplement), 2000, 21, 366. |
| 44. | X. Lu, J. Park, M.-C. Lin ,
Gas-Phase Reactions of HONO with NO2, O3 and HCl: An Ab Initio MO/TST Study. J. Phys. Chem. A,2000, 104, 8730. (Online Text) |
| 43. | H. Xian, Z.X. Cao, X. Xu, X. Lu,Q.E. Zhang,
Theoretical Study of Low-Lying electronic States of CuO and CuO-. Chem. Phys. Lett., 2000, 326, 485. |
| 42. | H. Chen, R.B. Huang, X. Lu, Z. C. Tang, X. Xu, L.S. Zheng,
Studies on Carbon/Sulfur Cluster Anions Produced by Laser Vaporization: Experiment (Collision-Induced Dissociation) and Theory (Ab Initio Calculation) I. C2Sm-(1<=m<=11) J. Chem. Phys., 2000, 112, 9310. |
| 41. | X. Lu, R. Musin, M.-C. Lin ,
Gas Phase Reactions of HONO with HNO and NH3: An Ab Initio MO/TST Study. J. Phys. Chem. A, 2000, 104, 5141. (Online Text) |
1999 |
|
| 40. | X. Lu, X. Xu, N. Wang, Q. Zhang,
Bondings of NO2 to Au Atom and to Au(111) Surface: A Quantum Chemical Study, J. Phys. Chem. A, 1999, 103, 10969. (Online Text) |
| 39. | X. Lu, X. Xu, N. Wang, Q. Zhang,
NO Adsorption and Decomposition on MgO Catalyst: A Quantum Chemical Study, J. Phys. Chem. B, 1999, 103, 5657. (Online Text) |
| 38. | X. Xu, B. Ren, D.Y. Wu, H. Xian, X. Lu, Z.Q. Tian,
Raman Spectroscopic and Quantum Chemical Study of Hydrogen Adsorption on Platinum Electrodes, Surf. & Interf. Anal., 28(1999), 111. |
| 37. | X. Xu, X. Lu, H. Xian, Y. Cai, N. Wang, Q. Zhang,
Influence of Spin State upon Bonding and Interaction in Fe-CO: An Ab Initio Study, Chem. Res. Chin. Univ. (English), 1999, 15(2), 163. |
| 36. | X. Xu, H. Nakatsuji, X. Lu, M. Ehara, Y. Cai, N. Wang,
Q. Zhang,
On the Cluster Modeling of Metal Oxides: Case Study of MgO and CO/MgO Adsorption System, Theo. Chem. Acc., 1999, 102, 179. (DOI 10.1007/s00214980m140) |
| 35. | X. Lu, X. Xu, N. Wang, Q. Zhang,
N2O Decomposition on MgO and Li/MgO Catalysts: A Quantum Chemical Study, J. Phys. Chem. B, 1999, 103, 3373. (Online Text) |
| 34. | X. Lu, X. Xu, N. Wang, Q. Zhang, H. Nakatsuji, M. Ehara,
Heterolytic Adsorption of H2 on ZnO(10-10) Surface: An Ab Initio SPC Cluster Model Study, J. Phys. Chem. B, 1999, 103, 2689. (Online Text) |
| 33. | X. Lu, X. Xu, N. Wang, Q. Zhang,
Convergence from Clusters to the Bulk Solid: Ab Initio Calculations of (MgO)x (x=2-16) Clusters, Int. J. Quant. Chem., 1999, 73, 377. Online Text |
| 32. | X. Xu, X. Lu, N. Wang, Q. Zhang, M. Ehara, H. Nakatsuji,
CASSCF Study of Bonding in NiCO and FeCO, Int. J. Quant. Chem., 1999, 72, 221. |
| 31. | X. Lu, X. Xu, N. Wang, Q. Zhang,
A Quantum Chemical Study of NO/MgO Chemisorption System: Hybrid B3LYP Calculations on NO/(MgO)n (n=4,6,8) Model Systems Chem. Phys. Lett.,1999, 300, 109. |