Guoliang Li

发表

Enhanced Relative Stability of Metallabenzenes versus Metallocenes upon Ring Perfluorination: Nickel, Palladium, and Platinum Systems

H. Schaefer, R. King, Yaoming Xie, 2017 .

A density functional theory study on the low-lying states of CrO 2

Wenguo Xu, Qian-Shu Li, Guoliang Li, 2000 .

Structures and properties of the potassium-doped carbon clusters KCn/KCn+/KCn−(n = 1−10)

Hui Wang, Guoliang Li, 2014 .

Structures and properties of small iron-doped carbon clusters

W.-J. Zhu, Guoliang Li, Wulue Zhu, 2009 .

Structures and properties of the tin-doped carbon clusters SnCn/SnCn+/SnCn-(n=1–10)

Chaoyang Wang, Guoliang Li, 2007 .

Juxtaposition of the strong back-bonding carbonyl ligand and weak back-bonding acetonitrile ligand in binuclear iron complexes

R. King, Qian-Shu Li, Yaoming Xie, 2013, Transition Metal Chemistry.

New ab initio potential energy surfaces for the F+ H2 reaction.

H. Werner, F. Lique, M. Alexander, 2007, The Journal of chemical physics.

Binuclear cyclopentadienylcobalt sulfur and phosphinidene complexes Cp2Co2E2 (E = S, PX): Comparison with their Iron carbonyl analogues

H. Schaefer, R. King, Qian-Shu Li, 2010 .

Butterfly and rhombus structures for binuclear cobalt carbonyl sulfur and phosphinidene complexes of the type Co2(CO)6E2 (E = S, PX).

R. King, Qian-Shu Li, H. Schaefer III, 2009, Dalton transactions.

Structures of dimetallocenes M2(C5H5)2 (M = Zn, Cu, Ni, Co, Fe) and their perfluorinated derivatives

H. Schaefer, R. King, Yaoming Xie, 2017 .

Tetrafluoroethylene versus trifluoromethylfluorocarbene complexes of cobalt carbonyl

R. King, Jia-En He, Qian-Shu Li, 2016 .

Coupling of trifluoromethyl isocyanide ligands in binuclear iron carbonyl complexes

R. King, Qian-Shu Li, Yaoming Xie, 2014 .

Binuclear methylaminobis(difluorophosphine) iron carbonyls: phosphorus–nitrogen bond cleavage in preference to iron–iron multiple bond formation

H. Schaefer, R. King, Qian-Shu Li, 2013 .

The fluorophosphinidene ligand in cyclopentadienyliron carbonyl chemistry: Iron–iron multiple bonding versus higher spin states

R. King, Qian-Shu Li, Yaoming Xie, 2013 .

Isocyanide versus nitrile ligands and methyl versus trifluoromethyl substituents in metal carbonyl chemistry

R. King, Qian-Shu Li, Yaoming Xie, 2012 .

Versatile behavior of the fluorophosphinidene ligand in iron carbonyl chemistry.

R. King, Qian-Shu Li, Yaoming Xie, 2011, Inorganic chemistry.

Binuclear cyclopentadienylmetal cyclooctatetraene derivatives of the first row transition metals: effects of ring conformation on the bonding of an eight-membered carbocyclic ring to a pair of metal atoms.

H. Schaefer, R. King, Qian-Shu Li, 2011, The journal of physical chemistry. A.

Decarbonylation of As2Co2(CO)6, a binuclear cobalt carbonyl derivative of diarsenic

H. Schaefer, R. King, Qian-Shu Li, 2010 .

Formation of a four-electron donor carbonyl group in the decarbonylation of the unsaturated H2C2Fe2(CO)6 tetrahedrane as an alternative to an iron–iron triple bond

H. Schaefer, R. King, Qian-Shu Li, 2010 .

Molecules for materials: structures, thermochemistry, and electron affinities of the digermanium fluorides Ge2Fn/Ge2Fn- (n = 1-6): a wealth of unusual structures.

H. Schaefer, Wenguo Xu, Qian-Shu Li, 2002, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical study on the structures and properties of LiC n , LiC n + , and LiC n - ( n = 1–10) clusters

Chaoyang Wang, Xiao‐Hong Li, Guozheng Ma, 2009 .

Comparison of stabilities of group-14-atom-terminated linear carbon clusters ECn/ECn+/ECn− (E = C, Si, Ge, Sn, or Pb; n = 1–10) on the parity alternation effects

Chaoyang Wang, Guoliang Li, 2008 .

I + (H2O)2 → HI + (H2O)OH Forward and Reverse Reactions. CCSD(T) Studies Including Spin-Orbit Coupling.

H. Schaefer, Qian-Shu Li, Yaoming Xie, 2016, The journal of physical chemistry. B.

Evidence for excited spin-orbit state reaction dynamics in F+H2: theory and experiment.

D. Nesbitt, H. Werner, S. Nizkorodov, 2008, The Journal of chemical physics.

Thiol-ene click synthesis of β-cyclodextrin-functionalized covalent organic framework-based magnetic nanocomposites (Fe3O4@COF@β-CD) for solid-phase extraction and determination of estrogens and estrogen mimics

Panxue Wang, Guoliang Li, Jin Liu, 2021, Microchemical Journal.

Fluorine Migration from Carbon to Iron and Fluorine–Iron Dative Bonds in Octafluorocyclohexadiene Iron Carbonyl Chemistry

H. Schaefer, R. King, Yaoming Xie, 2021 .

(Acetylene)dicobalt Carbonyl Derivatives: Decarbonylation of the H2C2Co2(CO)6 Tetrahedrane

H. Schaefer, R. King, Qian-Shu Li, 2009 .

Imidazole facilitates electron transfer from organic reductants.

D. Njus, Guoliang Li, Chadi H. Faraj, 2004, Bioelectrochemistry.

A theoretical study of the dependence of the ASxSi6−x cluster structures and properties on composition

Hongyu Chen, Aimei Gao, Qian-Shu Li, 2012 .

The structures and stabilities of small diarsenic-doped silicon clusters

Hongyu Chen, Aimei Gao, Qian-Shu Li, 2011 .

Heterobimetallic Chromium Manganese Carbonyl Nitrosyls: Comparison with Isoelectronic Homometallic Binuclear Chromium Carbonyl Nitrosyls and Manganese Carbonyls

R. King, Guoliang Li, Limei Wen, 2019, Inorganics.

Alternative modes of bonding of C4F8 units in mononuclear and binuclear iron carbonyl complexes

H. Schaefer, R. King, Yaoming Xie, 2019, New Journal of Chemistry.

Nonenzymatic mechanisms of oxidation/reduction reactions of biologically important organic compounds

Guoliang Li, 2007 .

The geometric, energetic, and electronic properties of charged phosphorus-doped silicon clusters, PSin+/PSin− (n = 1–8)

Hongyu Chen, Aimei Gao, Qian-Shu Li, 2011 .

Parity Alternation Effects in the Stabilities of the Second-Row-Atom-Doped Linear Carbon Clusters C n X/C n X + /C n X - ( n = 1−10; X = Na, Mg, Al, Si, P, S or Cl). A Comparative Study

Zi-Chao Tang, Guoliang Li, 2003 .

The exothermic HCl + OH·(H2O) reaction: removal of the HCl + OH barrier by a single water molecule.

Henry F. Schaefer, Yaoming Xie, H. Schaefer, 2014, The Journal of chemical physics.

Structures and properties the lead-doped carbon clusters PbCn/PbCn+/PbCn- (n=1-10)

X. Xing, Zi-Chao Tang, Guoliang Li, 2003 .

Structures, thermochemistry, and electron affinities of the disilicon fluorides, Si2F n /Si2F− n (n = 1–6)

H. Schaefer, Wenguo Xu, Qian-Shu Li, 2001 .

Structures, thermochemistry, and electron affinities of the germanium fluorides, GeFn/GeFn−(n=1–5)

Wenguo Xu, Henry F. Schaefer, Yaoming Xie, 1999 .

The Symmetric Exchange Reaction OH + H2O → H2O + OH: Convergent Quantum Mechanical Predictions.

H. Schaefer, Yaoming Xie, Guoliang Li, 2016, The journal of physical chemistry. A.

The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods.

Yaoming Xie, H. Schaefer, Qian-Shu Li, 2012, Physical chemistry chemical physics : PCCP.

Ammonia Synthesis Using Single-Atom Catalysts Based on Two-Dimensional Organometallic Metal Phthalocyanine Monolayers under Ambient Conditions.

E. Ganz, Li‐Ming Yang, Guoliang Li, 2020, ACS applied materials & interfaces.

Electrocatalytic Mechanism of N2 Reduction Reaction by Single-Atom Catalyst Rectangular TM-TCNQ Monolayers.

Li‐Ming Yang, Guoliang Li, Sheng-Yao Lv, 2021, ACS applied materials & interfaces.

Perfluoroolefin complexes versus perfluorometallacycles and perfluorocarbene complexes in cyclopentadienylcobalt chemistry.

H. Schaefer, R. King, Yaoming Xie, 2020, Physical chemistry chemical physics : PCCP.

The water trimer reaction OH + (H2O)3 → (H2O)2OH + H2O.

H. Schaefer, Yaoming Xie, Jared D Weidman, 2020, Physical chemistry chemical physics : PCCP.

Noncovalent Interactions between Molecular Hydrogen and the Alkali Fluorides: H-H···F-M (M = Li, Na, K, Rb, Cs). High Level Theoretical Predictions and SAPT Analysis.

Kevin B. Moore, H. Schaefer, K. Peterson, 2018, Journal of chemical theory and computation.

The water dimer reaction OH + (H2O)2 → (H2O)-OH + H2O.

H. Schaefer, Yaoming Xie, Guoliang Li, 2017, Physical Chemistry, Chemical Physics - PCCP.

From gas-phase to liquid water chemical reactions: The F + (H 2 O) n , n = 1-4 systems

H. Schaefer, Yaoming Xie, Guoliang Li, 2016 .

The Reaction between Bromine and the Water Dimer and the Highly Exothermic Reverse Reaction

Hui Wang, Guoliang Li, Qian-Shu Li, 2016, J. Comput. Chem..

From gas-phase to liquid-water chemical reactions: the fluorine atom plus water trimer system.

H. Schaefer, Qian-Shu Li, Yaoming Xie, 2015, Angewandte Chemie.

Unveiling the Underlying Mechanism of Transition Metal Atoms Anchored Square Tetracyanoquinodimethane Monolayers as Electrocatalysts for N2 Fixation

Li‐Ming Yang, Guoliang Li, Sheng-Yao Lv, 2021, ENERGY & ENVIRONMENTAL MATERIALS.

F + (H2O)2 reaction: the second water removes the barrier.

Yaoming Xie, Henry F Schaefer, H. Schaefer, 2013, The journal of physical chemistry. A.

Unusual Structures of the Parent Molecules Diarsene, Distibene, and Dibismuthene. Toward Their Observation.

H. Schaefer, Yaoming Xie, Guoliang Li, 2020, Chemistry.

Ab initio and density functional theory study of the mechanism of synthesis of the N5+ cation

Wenguo Xu, Qian-Shu Li, Guoliang Li, 1999 .

Atomistic Structures, Stabilities, Electronic Properties, and Chemical Bonding of Boron–Aluminum Mixed Clusters B3Aln0/−/+ (n = 2–6)

E. Ganz, Li‐Ming Yang, Guoliang Li, 2020, Journal of Cluster Science.

Communication: non-adiabatic coupling and resonances in the F + H2 reaction at low energies.

H. Werner, F. Lique, M. Alexander, 2011, The Journal of chemical physics.

Theoretical Studies on the Structures and Stabilities of Charged, Titanium-Doped, Small Silicon Clusters, TiSin−/TiSin+ (n = 1–8)

Hongyu Chen, Qian-Shu Li, Guoliang Li, 2012, Journal of Cluster Science.

DENSITY FUNCTIONAL THEORY STUDIES OF CHARGED, COPPER-DOPED, SMALL SILICON CLUSTERS, ${\rm CuSi}_{n}^{+}/{\rm CuSi}_{n}^{-}$ (n = 1–7)

Hongyu Chen, Aimei Gao, Qian-Shu Li, 2012 .

Structural evolution in boron-based clusters B5Aln0/-/+ (n = 1–4): Al atoms transition from the periphery of the planar W-shaped B5 ring to the vertex of the bipyramid

E. Ganz, Li‐Ming Yang, Guoliang Li, 2020 .

The structures, electronic properties, and chemical bonding of binary alloy boron–aluminum clusters series B4Aln0/−/+ (n = 1–5)

E. Ganz, Li‐Ming Yang, Guoliang Li, 2020 .

Theoretical studies on the structures and properties of As-doped Sin (n = 1–8) clusters

Hongyu Chen, Aimei Gao, Qian-Shu Li, 2010 .

Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides Be2H2, Mg2H2, Ca2H2, Sr2H2, and Ba2H2. Proposals for Observations.

H. Schaefer, Yaoming Xie, N. Tkachenko, 2020, Inorganic chemistry.