Jun Li

发表

Norm-conserving pseudopotentials and basis sets to explore Lanthanide chemistry in complex environments.

David C. Cantu, R. Rousseau, V. Glezakou, 2019, Journal of chemical theory and computation.

Ab initio studies of electronic structures and quasi-aromaticity in M3S4 –nO4+n(M = Mo, W; n= 0–4) clusters

Chun‐Wan Liu, Jun Li, Jiaxi Lu, 1994 .

Electronic structures and dpπ bonding of some M3X4+4 cluster compounds

Chun‐Wan Liu, Jun Li, Jiaxi Lu, 1994 .

Localized Molecular Orbital Studies of Fullerenes: C60 and C70

Chun‐Wan Liu, Jun Li, Jiaxi Lu, 1994 .

Ground‐State Reversal by Matrix Interaction: Electronic States and Vibrational Frequencies of CUO in Solid Argon and Neon

B. Liang, L. Andrews, B. Bursten, 2000 .

Theoretical studies of (d-p)ρ bonding, electronic spectra, and reactivities in homo- and heterometallic clusters: [Mo3-n Wn X4(H2O)9]4+ ( X = O, S, Se, Te;n= 0-3)

Chun‐Wan Liu, Jun Li, Jiaxi Lu, 1996 .

Quantum chemical calculations on the spectra and nonlinear third-order optical susceptibility of C60

Ji-Kang Feng, Jun Li, Jia-Zhong Sun, 1993 .

Calculations on the Electronic Structure and Nonlinear Second-Order Optical Susceptibility of the C60/Aniline Charge-Transfer Complex

Chia-Chung Sun, Ji-Kang Feng, Jun Li, 1994 .

On the electronic structure of molecular UO2 in the presence of Ar atoms: evidence for direct U-Ar bonding.

L. Andrews, C. Marsden, B. Bursten, 2004, Journal of the American Chemical Society.

Ab initio studies on the electronic structures of certain 10π-electron six-membered ring compounds

Chun‐Wan Liu, Jun Li, Jiaxi Lu, 1993 .

Norm-Conserving Pseudopotentials and Basis Sets Optimized for Lanthanide Molecules and Solid-State Compounds

David C. Cantu, R. Rousseau, V. Glezakou, 2019 .

Noble gas–uranium coordination and intersystem crossing for the CUO(Ne)x(Ng)n(Ng=Ar, Kr, Xe) complexes in solid neon

B. Liang, L. Andrews, B. Bursten, 2004 .

Calculations on the spectra and nonlinear third-order optical susceptibility of c70

Chia-Chung Sun, Ji-Kang Feng, Jun Li, 1994 .

Electronic coupling between molybdenum and tungsten quadruple bonds in molecular squares and extended chains linked by oxalate, acetylenedicarboxylate, and perfluoroterephthalate bridges

M. Chisholm, C. Hadad, B. Bursten, 2001 .

A comparative study of the aromaticity in some typical conjugated six‐membered rings by the method of localized molecular orbital

Zhi-da Chen, Qianer Zhang, Chun‐Wan Liu, 2010 .

Quantum chemical studies on the bonding characteristics of some M3X4 transition-metal halogenide clusters

Chun‐Wan Liu, Jun Li, Jiaxi Lu, 1994 .

Density functional theory studies of Si36H36 and C36H36 nanocages

Hong-cun Bai, Ping Xue, Jun Li, 2014 .

Zigzag Single-Walled Carbon Nanotubes Substitutionally Doped by Silicon: A Density Functional Theory Study

Hong-cun Bai, Jun Li, Yuhua Wu, 2015 .

Doping the armchair single-walled carbon nanotubes by silicon substitutions: A density functional theory study

Hong-cun Bai, Jun Li, Yuhua Wu, 2013, 2013 International Conference on Manipulation, Manufacturing and Measurement on the Nanoscale.

Density Functional Theory Studies of Substitutionally Si-Doped Single-Walled Carbon Nanotubes

Hong-cun Bai, Jun Li, Nini Yuan, 2013 .

Surface state tunable energy and mass renormalization from homothetic quantum dot arrays.

A. Arnau, J. Ortega, A. Hirsch, 2019, Nanoscale.

Low-Dimensional Metal–Organic Coordination Structures on Graphene

R. Havenith, A. Hirsch, M. Enache, 2019, The journal of physical chemistry. C, Nanomaterials and interfaces.

Theoretical Studies of the Electronic Structure of Compounds of the Actinide Elements

P. Hay, B. Bursten, J. Blaudeau, 2006 .

Ligand-cluster reactivity and structure relationship; the synthesis, structural characterization and properties of two new MoCuS cluster compounds

Qiangjin Wu, Shaofang Lu, Jun Li, 1995 .

Syntheses, Structures, Bonding, and Optical Properties of Trinuclear Cluster Iodides: M3(μ3-I)2(μ-dppm)3·I (M=Cu, Ag), dppm=bis(diphenylphosphino)methane)

Jun Li, Rong Cao, G. Guo, 2002 .

Electronic structure of cycloheptatrienyl sandwich compounds of actinides: An(eta(7)-C7H7)(2) (An = Th, Pa, U, Np, Pu, Am)

B. Bursten, Jun Li, 1997 .

M2δ-to-oxalate π* conjugation in oxalate-bridged complexes containing M–M quadruple bonds

M. Chisholm, C. Hadad, B. Bursten, 2001 .

Actinide (An = Th-Pu) dimetallocenes: promising candidates for metal-metal multiple bonds.

J. Lan, Cong-zhi Wang, W. Shi, 2015, Dalton transactions.

Reaction of Laser-Ablated Uranium Atoms with CO: Infrared Spectra of the CUO, CUO-, OUCCO, (η2-C2)UO2, and U(CO)x (x = 1−6) Molecules in Solid Neon

L. Andrews, Mingfei Zhou, B. Bursten, 1999 .

1,3,5-Benzenetribenzoic Acid on Cu(111) and Graphene/Cu(111): A Comparative STM Study

M. Stöhr, S. Gottardi, Jun Li, 2016, The journal of physical chemistry. C, Nanomaterials and interfaces.

Switching of a photochromic molecule on gold electrodes: single-molecule measurements

J. Andréasson, S. Straight, T. Moore, 2005 .

Noble Gas-Actinide Compounds: Complexation of the CUO Molecule by Ar, Kr, and Xe Atoms in Noble Gas Matrices

Jun Li, Lester Andrews, B. Liang, 2002, Science.

Spiers memorial lecture. The quantum chemistry of d- and f-element complexes: from an approximate existence to functional happiness.

B. Bursten, Jun Li, M. Drummond, 2003, Faraday discussions.

Unveiling Adatoms in On-Surface Reactions: Combining Scanning Probe Microscopy with van’t Hoff Plots

D. J. Mowbray, A. Hirsch, M. Stöhr, 2021, The journal of physical chemistry. C, Nanomaterials and interfaces.

Comparing the Self‐Assembly of Sexiphenyl‐Dicarbonitrile on Graphite and Graphene on Cu(111)

R. Havenith, A. Hirsch, M. Enache, 2019, Chemistry.

Electric field effects on the octanedithiol wire

O. Sankey, J. Tomfohr, Jun Li, 2003 .

Tunneling Through Single Molecules

O. Sankey, J. Tomfohr, Jun Li, 2003 .

Conduction switching of photochromic molecules.

O. Sankey, Jun Li, G. Speyer, 2004, Physical review letters.

Investigations of conductance of photochromic switching molecules

O. Sankey, Jun Li, G. Speyer, 2004 .

Localized molecular orbital studies of certain compounds with [A3X3] six‐membered rings

Jun Li, Jiaxi Lu, Chun-Wan Liu, 2010 .

Symmetrical clusters of carbon and boron

Jun Li, Au-Ching Tang, Qian-Shu Li, 1993 .

Theoretical study of carotene as a molecular wire

John K. Tomfohr, O. Sankey, J. Tomfohr, 2003 .

Electronic structure differences in ZrO2 vs HfO2.

M. Gutowski, K. Bowen, Weijun Zheng, 2005, The journal of physical chemistry. A.

Quantum-chemical investigation of Buckminsterfullerene and related carbon clusters (I): The electronic structure and UV spectra of Buckminsterfullerene, and other C60 cages†

M. Zerner, Jun Li, Zhizhong Wang, 1990 .

Bis(arene) Actinide Sandwich Complexes, (η6-C6H3R3)2An: Linear or Bent?

B. Bursten, Jun Li, 1999 .

Electron Transport Properties of a Carotene Molecule in a Metal−(Single Molecule)−Metal Junction

Larry A. Nagahara, Otto F. Sankey, John K. Tomfohr, 2003 .

Using diverse theoretical approaches to study electron transport through organic molecules

Gil Speyer, Otto F. Sankey, Jun Li, 2004, SPIE OPTO.

Quantum chemical calculations on buckminsterfullerene and related structures. II. The electronic structure and spectra of some Cn and CnCa2+ cages

M. Zerner, Jun Li, Zhiru Li, 1991 .

Structure-dependent vibrational properties of metallic nanoclusters

Xue Liu, Jun Li, H. Lei, 2013 .

Large molecular third-order optical nonlinearities in polarized carotenoids.

G I Stegeman, G. Stegeman, S. Boxer, 1997, Science.

Electronic Supplementary Information: Surface state tunable energy and mass renormalization from homothetic Quantum dot arrays

A. Arnau, J. Ortega, A. Hirsch, 2019 .

Reactions of Th Atoms with CO: The First Thorium Carbonyl Complex and an Unprecedented Bent Triplet Insertion Product

L. Andrews, Mingfei Zhou, B. Bursten, 1999 .

Conduction switching of photochromic molecules.

O. Sankey, Jun Li, G. Speyer, 2004, Physical review letters.

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Mingfei Zhou, Han-Shi Hu, Wan-Lu Li, 2019 .