$^{13}C_{carben}$ NMR 化学位移分析确认铈(IV)-二膦亚烷基中Ce$^{IV}$=C双键, Chem. Sci., 2024, DOI: 10.1039/D3SC04449A

31P核磁共振波谱作为钍-磷键共价的探针：磷化学位移与金属-磷键序的相关性, J. Am. Chem. Soc., 2023, DOI: 10.1021/jacs.3c02775

Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster, JACS, 2023, DOI: 10.1021/jacs.3c07335

Lewis Acid Probe for Basicity of Sulfide Electrolytes Investigated by 11B Solid-State NMR, JACS Au 2023, DOI: 10.1021/jacsau.3c00242

Regioselective Derivatization of Silylated [20]Silafulleranes, JACS, 2023, DOI: 10.1021/jacs.3c03270

水对TiO2上羧酸酮化反应中表面中间体反应性的作用(JACS 2022)

负载型分子催化剂的多表面位三维结构测定(JACS 2022)

119Sn核磁共振化学位移计算的基准研究(Inorg. Chem. 2022)

NMR的剧烈增强方法：PHIP-X(JACS 2021)

[Cl@Si20H20]−: Parent Siladodecahedrane with Endohedral Chloride Ion(JACS 2021)

小极性/无极性分子NMR性质的热微扰研究(Sci. Rep. 2020)

相对论DFT计算解释SO-HALA NMR化学位移在元素周期表中的变化趋势(JCTC, 2018)

二维传感材料检测甲醛的机理研究（J Mol Model, 2018）

相对论DFT找到铑卡宾13C的NMR信号(Science，2013)

Pt的σ-donation的29Si NMR包括强相对论效应(Angew. Chem. Int. Ed.，2011)

电荷密度和NMR解释Ni-元结键(Angew. Chem. Int. Ed.，2011)

钨多金属氧酸盐的NMR的spin-spin耦合(Angew. Chem. Int. Ed.，2005)

2,4-二溴-6-（1H-菲并[9,10-d]咪唑-2-基）苯酚的合成、晶体结构、光谱（IR、NMR）和计算分析, Journal of Chemical Crystallography, 2024, DOI: 10.1007/s10870-024-01011-8

用Cu(I)盐促进Ce(III)氧化制备Ce(IV), Inorg. Chem. 2024, DOI: 10.1021/acs.inorgchem.3c04337

通过从头算分子动力学和二组分与四组分密度泛函NMR计算研究了水溶液中Pt–Pt间接自旋-自旋耦合的动力学和相对论效应, J. Chem. Phys., 2024, 160, 114307, DOI: 10.1063/5.0196853

207Pb核磁共振化学位移计算的基准研究, Inorg. Chem., 2024, DOI: 10.1021/acs.inorgchem.3c04539

Tuning the Softness of the Pendant Arms and the Polyazamacrocyclic Backbone to Chelate the $^{203}$Pb/$^{212}$Pb Theranostic Pair, Inorg. Chem., 2024, DOI: 10.1021/acs.inorgchem.3c02610

结合从头算分子动力学和相对论NMR计算探讨$^{199}$Hg NMR参数, Inorg. Chem. 2024, DOI: 10.1021/acs.inorgchem.3c03878

用现代相对论密度泛函方法研究三重态及以上体系的顺磁NMR位移, J. Phys. Chem. A 2024, DOI: 10.1021/acs.jpca.3c07093

粉末样品中与顺磁性钴（II）离子直接结合的氯原子的固态35/37Cl NMR检测, Magnetic Resonance in Chemistry, 2023, DOI: 10.1002/mrc.5407

硫醇盐配合物中汞NMR化学位移的几何相关性：相对论DFT研究, arxiv.org

Can simple ‘molecular’ corrections outperform projector,augmented-wave density functional theory in the prediction of 35Cl electric field gradient tensor parameters for chlorine-containing crystalline systems?, Magn Reson Chem. 2023;1–13

CdSe纳米晶表面镉和硒固态NMR谱的DFT计算, ACS Omega, 2023, DOI: 10.1021/acsomega.3c07680

Chemical shift tensors as probes of chalcogen bonds: solid-state NMR study of telluradiazole-XCN− (X = O, S, Se) salt cocrystals, FACETS, 2023, DOI: 10.1139/facets-2023-0082

调整硫醚官能化聚氮甲基环的结构：寻找Theranotic银放射性同位素的螯合剂, Inorg. Chem., 2023, DOI: 10.1021/acs.inorgchem.3c02456

Relationships between the structural characteristic of curcumins that affect cell proliferation of hepatocarcinoma cells, Afinidad, 2023

Cl@Si20X20 cages. Evaluation of Encapsulation Nature, Structural Rigidity, and 29Si-NMR Patterns from Relativistic DFT Calculations, Phys. Chem. Chem. Phys., 2023, DOI: 10.1039/D3CP02371K

碱性卤化锡：利用固态NMR和DFT计算探索A2SnX6(A=K, Rb; X=Cl, Br, I)化合物的局部结构, J. Phys. Chem. C, 2023, DOI: 10.1021/acs.jpcc.2c08073

Maximizing Solid-state NMR Sensitivity for Materials Science Characterization

专著Nuclear Magnetic Resonance: Volume 48, 2022

1H 化学位移各向异性：用于表面研究的高灵敏度固态NMR动力学探针?(Phys. Chem. Chem. Phys. 2022)

Pnictide-Capped Butterfly Cluster in the Crystal Structure of Nb4PnX11 (Pn = N, P; X = Cl, Br, I)(Inorg. Chem. 2022)

过卤八面体膦和胂烷对四氢呋喃的反应性：一项联合实验/计算研究(Inorg. Chem. 2022)

聚硫铂酸盐（II）[Pt3S2（SO3）6]10的发现及其溶液和催化性能的研究(Inorg. Chem. 2022)

利用高场核磁共振和量子化学理解环醚多价电解质的溶剂化依赖性(JACS Au 2022)

锝配合物中Tc-99核磁共振化学位移的计算预测及其在放射性药物中的应用(J. Phys. Chem. A 2022)

NMR Response of the Tetrel Bond Donor(J. Phys. Chem. C 2021)

Homoleptic Perchlorophenyl “Ate” Complexes of Thorium(IV) and Uranium(IV)(Inorg. Chem. 2021)

磁共振谱研究水合作用对负载型V2O5/TiO2催化剂的影响(J. Phys. Chem. C 2021)

从头算分子动力学和局域轨道分析研究溶剂效应对吡啶酸桥联PtIII双核配合物195Pt NMR性质的影响(Phys. Chem. Chem. Phys. 2021)

Importance of Relativistic Effects for Carbon as an NMR Reporter Nucleus in Carbide-Bridged [RuCPt] Complexes(Organometallics 2021)

Concentration-Dependent Solvation Structure and Dynamics of Aqueous Sulfuric Acid Using Multinuclear NMR and DFT(J. Phys. Chem. B 2021)

苯并咪唑和环庚咪唑金氮杂环卡宾的结构与电子性质( E Schott - Polyhedron 2021)

负离子13C核磁共振中的反卤素依赖性(Phys. Chem. Chem. Phys. 2020)

发光手性二萘酚衍生双磷酸盐单分子磁体研究-固态与溶液(Inorg. Chem. Front. 2020)

复杂金属多氢化物$^1$H NMR化学位移的第一性原理计算：相对论和动力学必须考虑(Inorganic Chemistry 2020)

应用光化学诱导动态核极化（photo-CIDNP）固体核磁共振（NMR）分析寡根绣线菊光系统I的主电子结构(Magnetic Resonance 2020)

$^{31}$P Chemical Shifts in Ru(II) Phosphine Complexes. A Computational Study of the Influence of the Coordination Sphere(Inorg. Chem. 2020)

单体Sn(II)和Sn(IV)全氟丙酸配合物的形成及其$^{119}$Sn穆斯堡尔谱和$^{119}$Sn核磁共振谱表征(Dalton Transactions 2020)

Analysis of the electronic asymmetry of the primary electron donor of photosystem I of Spirodela oligorrhiza by photo-CIDNP solid-state NMR (Magnetic Resonance 2020)

极化共价钍（IV）和铀（IV）-硅键(ChemRxiv 2020)

利用重金属配合物作为多量子比特体系提高核磁共振量子计算的理论研究(J. Phys. Chem. A 2020)

Chemical Shift Tensors of Cimetidine Form A Modeled with DFT Calculations: Implications for NMR Crystallography (J. Phys. Chem. A 2020)

H.. C–P vs C–H Bond Cleavage of Triphenylphosphine at Platinum(0): Mechanism of Formation, Reactivity, Redox Chemistry, and NMR Chemical Shift Calculations of a μ-Phosphanido Diplatinum(II) Platform (Organometallics 39, 443-452, 2020)

Probing Conformational Evolution and Associated Dynamics of $Mg(N(SO_2CF_3)_2)_2$ · Dimethoxyethane Adduct Using Solid-State $^{19}F$ and $^1H$ NMR (J. Phys. Chem. C 2020)

Theoretical investigation of the record 7 Li-NMR chemical shift in new sandwich-like aggregates of corannulene(Theoretical Chemistry Accounts 2020)

The Sodium Anion Is Strongly Perturbed in the Condensed Phase Even though It Appears Like a Free Ion in NMR Experiments(J. Phys. Chem. Lett. 2020)

$^15$N photo-CIDNP MAS NMR analysis of a bacterial photosynthetic reaction center of Rhodobacter sphaeroides wildtype (J. Chem. Phys. 2019)

Insights into the role of D‐A‐π‐A type pro‐aromatic organic dyes with thieno[3,4‐b]pyrazine as A acceptor group into dye‐sensitized solar‐cells. A TD‐DFT/periodic DFT study (INT J QUANTUM CHEM 2019)

Counterintuitive Deshielding on the 13C NMR Chemical Shift for the Trifluoromethyl Anion (Magnetic Resonance in Chemistry 2019)

13C and 207Pb NMR Chemical Shifts of Dirhodio- and Dilithioplumbole Complexes: A Quantum Chemical Assessment(Inorg. Chem. 2019)