Xin Lu

发表

Internal dynamics in the molecular complex of CF3CN and H2O.

S. Novick, D. Obenchain, Anan Wu, 2015, Physical chemistry chemical physics : PCCP.

Cyanide adsorbed on coinage metal electrodes: A relativistic density functional investigation

Qianer Zhang, M. Liao, Xin Lu, 1998 .

Chemisorption of acetonitrile, pyridine and pyrazine on the Si(100)-2x1 surface: theoretical predictions

Xin Xu, Jianming Wu, N. Wang, 2002 .

High charge flexibility of the surface dangling bonds on the Si(111)-7×7 surface and NH3 chemisorption: a DFT study

Xin Xu, M. Lin, N. Wang, 2002 .

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.

Zi-Chao Tang, Xin Lu, Xia Wu, 2014, Physical chemistry chemical physics : PCCP.

The odd–even alternation of heteroatom-doped carbon clusters AuCn− (n ⩽ 12): Experimental observations and density functional studies

Lan-sun Zheng, Rong-bin Huang, Xin Lu, 2010 .

Studies on carbon/sulfur cluster anions produced by laser vaporization: Experiment (collision-induced dissociation) and theory (ab initio calculation) I C2Sm- (1 <= m <= 11)

Lan-sun Zheng, Rong-bin Huang, Zi-Chao Tang, 2000 .

Addition of carbene to the equator of C(70) to produce the most stable C(71)H(2) isomer: 2 aH-2(12)a-homo(C(70)-D(5h(6)))[5,6]fullerene.

Chunru Wang, Taishan Wang, Li Jiang, 2010, Angewandte Chemie.

CLUSTER MODELING OF METAL OXIDES : HOW TO CUT OUT A CLUSTER?

H. Nakatsuji, Xin Xu, M. Ehara, 1998 .

Determination of sophoridine and related lupin alkaloids using tris(2,2 '-bipyridine)ruthenium electrogenerated chemiluminescence

Xiao-ru Wang, Xi Chen, Mei-Jin Li, 2002 .

Electrochemical Synthesis of Imidazo-Fused N-Heteroaromatic Compounds through a C-N Bond-Forming Radical Cascade.

Xin Lu, Hai‐Chao Xu, Yared Yohannes Melcamu, 2018, Angewandte Chemie.

The chemisorption of NO on Si(1 1 1)-7 × 7 surface: a DFT study

Qianer Zhang, Xin Lu, Z. Su, 2003 .

Spin divergence induced by exohedral modification: ESR study of Sc3C2@C80 fulleropyrrolidine.

W. Xu, Chunru Wang, Taishan Wang, 2010, Angewandte Chemie.

Zinc-catalyzed reaction of isoxazoles with thioynol ethers involving an unprecedented 1,2-sulfur migration.

Xinhai Zhu, Xin Lu, Bo Zhou, 2018, Chemical communications.

The formation of an enynic-like intermediate in diacetylene binding on Si(1 0 0)-2 × 1

G. Xu, C. Xiang, Xin Lu, 2004 .

Separation and Characterization of C70(C14H10) and C70(C5H6) from an Acetylene–Benzene–Oxygen Flame

Hui-Ying Huang, Qunhong Weng, Lan-sun Zheng, 2011 .

A quantum chemical study of the NO/MgO chemisorption system: hybrid B3LYP calculations on NO/(MgO)(n) (n = 4, 6, 8) model systems

Xin Xu, Qianer Zhang, Xin Lu, 1999 .

Mechanism of Lewis-acid-catalyzed intramolecular coupling of sp3C–H bond and alkene: A theoretical investigation

Xin Lu, H. Zeng, K. Tan, 2014 .

CASSCF study of bonding in NiCO and FeCO

H. Nakatsuji, Xin Xu, M. Ehara, 1999 .

Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles

Lin Qi, L. Gong, Xin Lu, 2018 .

Chemoselectivity in Gold(I)-Catalyzed Propargyl Ester Reactions: Insights From DFT Calculations

Anan Wu, Xin Lu, Qing Sun, 2019, Front. Chem..

Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.

Xin Lu, Bo Zhou, L. Ye, 2015, Journal of the American Chemical Society.

Experimental and theoretical evidence of aromatic behavior in heterobenzene-like molecules with metal-metal multiple bonds.

W. Fang, Qiao He, Xin Lu, 2011, Chemistry.

Benign catalysis with zinc: atom-economical and divergent synthesis of nitrogen heterocycles by formal [3 + 2] annulation of isoxazoles with ynol ethers

Xinhai Zhu, Xin Lu, Bo Zhou, 2018 .

The dinitrogen-ligated triaurum cation, aurodiazenylium, auronitrenium, auroammonia, and auroammonium.

Zi-Chao Tang, Zhengbo Qin, Xin Lu, 2011, Angewandte Chemie.

Ti2C80 is more likely a titanium carbide endohedral metallofullerene (Ti2C2)@C78.

Kai Tan, Xin Lu, Xin Lu, 2005, Chemical communications.

Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions

N. Zheng, Zhongqun Tian, Huayan Yang, 2016, Nature Communications.

Theoretical studies of XCnX (X = O, S, Se; n=1-8): structures, spectroscopic properties, and dissociation energies

Lan-sun Zheng, Rong-bin Huang, Xin Lu, 2002 .

Is C60 buckminsterfullerene aromatic?

Clémence Corminboeuf, Paul von Ragué Schleyer, Xin Lu, 2012, Physical chemistry chemical physics : PCCP.

Stabilization of anti-aromatic and strained five-membered rings with a transition metal.

P. Schleyer, Z. Cao, H. Xia, 2013, Nature chemistry.

Reactions of some [C, N, O]-containing molecules with Si surfaces: Experimental and theoretical studies

M. Lin, Xin Lu, 2002 .

CHAMELEON GROUND STATE AND EXCITED STATES OF EDT-TTF-IM-F(4)TCNQ RADICAL DYAD IN DIFFERENT ENVIRONMENTS

吕鑫, Xin Lu, Yuhua Zhou, 2012 .

Capturing the Labile Fullerene[50] as C50Cl10

Xu Zhang, Xin Lu, Rong-Bin Huang, 2004, Science.

m-chloroaniline emulsion polymerization, macromolecular chain structure and electrochemical properties

Yiting Xu, L. Dai, Huihuang Wu, 2002 .

Cluster modeling of metal oxides: the influence of the surrounding point charges on the embedded cluster

H. Nakatsuji, Xin Xu, M. Ehara, 1998 .

Generation of α‐Imino Gold Carbenes Through Gold‐Catalyzed Intermolecular Reaction of Azides with Ynamides.

Xin Lu, Bo Zhou, L. Ye, 2016 .

Beyond the intradimer 2+2 cycloaddition chemistry of ethylene on Si(100): theoretical evidence on the occurrence of interdimer reaction

Xin Lu, Mengping Zhu, 2004 .

A theoretical study of HN3 reaction with the C(1 0 0)-2×1 surface

G. Fu, Qianer Zhang, Xin Lu, 2001 .

Direct relaxation of hard-constraint in Model Predictive Control

Kejun Zhao, Chunqing Huang, Xin Lu, 2012, FSKD.

Chemisorption and Decomposition of Thiophene and Furan on the Si(100)-2 × 1 Surface: A Quantum Chemical Study

Xin Xu, Qianer Zhang, Xin Lu, 2001 .

Adsorbate lone-pair-electron stimulated charge transfer between surface dangling bonds: methanol chemisorption on Si(111)-7 x 7

Xin Xu, Zhaoxiong Xie, Mingshu Chen, 2004 .

The chemistry of HN3 on Ge(100)-2x1: a theoretical study

Xin Xu, Qianer Zhang, Xin Lu, 2003 .

CHARGE-CONSISTENCY MODELING OF CO/NIO(100) CHEMISORPTION SYSTEM

Xin Xu, Qi Zhang, Xin Lu, 1995 .

1,6 -Bis (4 -methoxyphenylsulfanyl) perchlorofluoranthene : A molecule with sandwiched π-π stacking linked by a flexible five-membered ring

Xiaoliang Fang, S. Xie, Xin Lu, 2007 .

Chlorofullerenes featuring triple sequentially fused pentagons.

Feng Zhu, Xin Lu, Rong-Bin Huang, 2010, Nature chemistry.

Crystal structures of saturn-like C50Cl10 and pineapple-shaped C64Cl4: geometric implications of double- and triple-pentagon-fused chlorofullerenes.

Xin Lu, Fei Gao, Rong-Bin Huang, 2008, Angewandte Chemie.

Two I(h)-symmetry-breaking C60 isomers stabilized by chlorination.

Feng Zhu, Xin Lu, Rong-Bin Huang, 2008, Nature Materials.

High LUMO energy level C60(OCH3)4 derivatives: Electronic acceptors for photovoltaic cells with higher open-circuit voltage

S. Xie, Xin Lu, Lin-Long Deng, 2013 .

Convergence from clusters to the bulk solid: Ab initio calculations of (MgO)(x) (x=2-16) clusters

Xin Xu, Qianer Zhang, Xin Lu, 1999 .

Synthesis, structural characterization and ab initio calculation of dipyridyltetraazathiapentalene: a highly conjugative polycyclic molecule with hypervalent N–S–N bond

N. Zheng, L. Long, S. Xie, 2002 .

Insights into the mechanism of fatty acid photodecarboxylase: A theoretical investigation

Anan Wu, Xin Lu, K. Tan, 2021 .

Isolation and characterization of Sc2C2@C68: a metal-carbide endofullerene with a non-IPR carbon cage.

Xin Lu, Hisanori Shinohara, H. Shinohara, 2006, Angewandte Chemie.

Diels-Alder addition of some 6- and 5-member ring aromatic compounds on the Si(001)-2´ 1 surface: dependence of the binding energy on the resonance energy of the aromatic compounds

吕鑫, 徐昕, Xin Xu, 2001 .

Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity

Xin Lu, Rai‐Shung Liu, P. Jadhav, 2018, ACS Catalysis.

Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography

Yuan‐Zhi Tan, Jia Li, S. Xie, 2013 .

Pristine graphene dispersion in solvents and its application as a catalyst support: a combined theoretical and experimental study

Shanfu Lu, Yan Xiang, Xin Lu, 2015 .

Convergence from clusters to the bulk solid: an ab initio investigation of clusters NanCln (n=2-40)

Xin Lu, Jinfeng Lai, Lan-Sun Zheng, 2002 .

The dinitrogen-ligated triaurum cation, aurodiazenylium, auronitrenium, auroammonia, and auroammonium.

Zi-Chao Tang, Zhengbo Qin, Xin Lu, 2011, Angewandte Chemie.

Is C60 buckminsterfullerene aromatic?

P. Schleyer, C. Corminboeuf, A. Hirsch, 2012, Physical chemistry chemical physics : PCCP.

Two I(h)-symmetry-breaking C60 isomers stabilized by chlorination.

Zhiping Zheng, S. Xie, Xin Lu, 2008, Nature materials.

Structural optimization and segregation behavior of quaternary alloy nanoparticles based on simulated annealing algorithm

Tundong Liu, Y. Wen, G. Shao, 2016 .

Addition of carbene to the equator of C(70) to produce the most stable C(71)H(2) isomer: 2 aH-2(12)a-homo(C(70)-D(5h(6)))[5,6]fullerene.

Chunru Wang, Taishan Wang, Li Jiang, 2010, Angewandte Chemie.