(1)王昊.
Solvent field regulated superhalogen in pure and doped gold cluster anions
.CHINESE CHEMICAL LETTERS
.2023
(11):108222
(2)黄海财.
Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction
.Journal of Materials Chemistry A
.2020
(18):9202
(3)黎俊.
Observation of “Outlaw” Dual Aromaticity in Unexpectedly Stable Open-Shell Metal Clusters Caused by Near-Degenerate Molecular Orbital Coupling
.CCS Chemistry
.2020
(2):1913
(4)黄海财.
Surface Modification Strategy for Promoting the Performance of Non-noble Metal Single-Atom Catalysts in Low-Temperature CO Oxidation
.ACS Applied Materials & Interfaces
.2020
(17):19457
(5)刘立烨.
Beyond Shell-Filling: Strong Enhancement of Electron Affinity of Metal Clusters through a Noninvasive Oriented External Electric Field
.Journal of Physical Chemistry Letters
.2024
,15
(27):7028
(6)薛利娟.
Symmetry-Breaking Manipulated Channel Ergodicity in Intramolecular Singlet Fission Uncovered Statistically by Molecular Dynamics Samplings
.Journal of chemical theory and computation
.2023
(19):3806
(7)薛利娟.
Dynamic cooperativity of chromophores in promoting singlet fission in perylenediimide crystals
.J. Mater. Chem. C
.2023
(11):15322
(8)王方坤.
A Ground-State Dual-Descriptor Strategy for Screening Efficient Singlet Fission Systems
.J. Phys. Chem. Lett.
.2023
(14):7198
(9)高亮.
Competitive Hydration Versus Migration of Pre-hydrated Electrons for CO2 Reduction in Aqueous Solution Revealed by Ab Initio Molecular Dynamics Simulation
.Advanced Theory and Simulations
.2023
(1):2200938
(10)黄海北.
Hydrated electrons as nodes in porous clathrate hydrates
.THE JOURNAL OF CHEMICAL PHYSICS
.2023
(158):114504
(11)冯逸伟.
Modulating electron distributions by integrating ligands with metal molecules in THF
.Journal of Molecular Liquids
.2023
(391):123290
(12)郑翔云.
Hydrogen-Bonding-Assisted Substituent Engineering for Modulating Magnetic Spin Couplings and Switching in <i>m</i>-Phenylene Nitroxide Diradicals
.JOURNAL OF PHYSICAL CHEMISTRY A
.2023
,127
(36):7443
(13) Malik, Rabia.
Magnetic coupling modulation in <i>meta</i>-nitroxide-functionalized isoalloxazine magnets with redox-active units as efficient side-modulators
.Phys. Chem. Chem. Phys。
.2023
,25
(25):16991
(14)黄海北.
Multifunctional Roles of Clathrate Hydrate Nanoreactors for CO<sub>2</sub> Reduction
.Chemistry-A European Journal
.2023
(15)Malik, Rabia.
Proton-transfer regulated magnetic coupling characteristics in Blatter-based diradicals
.NEW JOURNAL OF CHEMISTRY
.2023
,47
(14):6903-6915
(16)董慧.
Electron Presolvation in Tetrahydrofuran-Incorporated Supramolecular Sodium Entities
.JOURNAL OF PHYSICAL CHEMISTRY A
.2023
,127
(6):1402-1412
(17)陈晓.
Indirect Nuclear Spin-Spin Exchange Coupling through Solvated Electron in Small Sizes of Cyclic and Cage-Shaped Perfluoroalkanes
.chemphyschem
.2023
,24
(11)
(18)林学星.
Electron-Coupled Proton Transfer Governed Magnetic Spin Couplings and Switching in Defect Nano Silicon Carbide
.J. Phys. Chem. C
.2023
:2012-2024
(19)赵霞.
How hexafluoroisopropanol solvent promotes Diels-Alder cycloadditions: <i>ab initio</i> metadynamics simulations
.Phys. Chem. Chem. Phys。
.2023
,25
(21):14695
(20)胡心敏.
Ab Initio Metadynamics Simulations of Hexafluoroisopropanol Solvent Effects: Synergistic Role of Solvent H-Bonding Networks and Solvent-Solute C-H/π Interactions
.Chemistry-A European Journal
.2023
,29
(17)
(21)郭美珍.
Reduced graphene oxide-stabilized copper nanocrystals with enhanced catalytic activity
.RSC advances
.2016
(6):50587
(22)杨洪芳.
Structural fluctuation governed dynamic diradical character in pentacene
.Phys. Chem. Chem. Phys.
.2015
,17
(17):13904
(23)许丽.
construction of reduced graphene oxide-supported Ag–Cu2O composites with hierarchical structures for enhanced photocatalytic activities and recyclability
.J. Mater Chem. A
.2015
,3
(3):5923
(24)张凤英.
Computational insights into intriguing vibration-induced pulsing diradical character in perfluoropentacene and the perfluorination effect
.Phys. Chem. Chem. Phys.
.2016
,18
(18):16179
(25)杨洪芳.
Magnetism-Tunable Oligoacene Dioxide Diradicals: An Intriguing Class of Promising Magnetic Oligoacene-like Molecules
.chemphyschem
.2012
(13):4148
(26)王昊.
Solvent field regulated superhalogen in pure and doped gold cluster anions
.CHINESE CHEMICAL LETTERS
.2023
,34
(11):108222
(27)黎俊.
Observation of “Outlaw” Dual Aromaticity in Unexpectedly Stable Open-Shell Metal Clusters Caused by Near-Degenerate Molecular Orbital Coupling
.CCS CHEMISTRY
.2020
(2):1913
(28)黎俊.
Observation of “Outlaw” Dual Aromaticity in Unexpectedly Stable Open-Shell Metal Clusters Caused by Near-Degenerate Molecular Orbital Coupling
.CCS Chemistry
.2020
(2):1913
(29)宋亚敏.
Hydrogen-migration governed dynamic magnetic coupling characteristics in nitrogen-vacancy-hydrogen nanodiamonds
.Phys. Chem. Chem. Phys。
.2023
,25
(37):25818
(30)王昊.
Solvent field regulated superhalogen in pure and doped gold cluster anions
.CHINESE CHEMICAL LETTERS Journal
.2023
,34
(11)
(31)宋亚敏.
Hydrogen-migration governed dynamic magnetic coupling characteristics in nitrogen-vacancy-hydrogen nanodiamonds
.Phys. Chem. Chem. Phys。
.2023
(32)于少芬.
Conjugated coupler curvature enhances magnetic spin coupling in π-diradicals
.NEW JOURNAL OF CHEMISTRY
.2023
(33)黄海财.
A strain-engineered self-intercalation Ta9Se12 based bifunctional single atom catalyst for oxygen evolution and reduction reactions
.Applied Surface Science
.2022
,602
(34)宋枚育.
Core-modified porphyrin diradicals with a C=C unit: Redox-driven magnetic switching
.J. Phys. Chem. C
.2017
,121
(39):21231-21243
(35)许丽.
Construction of reduced graphene oxide-supported Ag-Cu2O composites with hierarchical structures for enhanced photocatalytic activities and recyclability
.Journal of Materials Chemistry A
.2015
,3
(11):5923-5933
(36)张凤英.
Redox-Modulated Magnetic Transformations between Ferro- and Antiferromagnetism in Organic Systems: Rational Design of Magnetic Organic Molecular Switches
.J. Phys. Chem. C
.2015
,119
(50):27930-27937
(37)胡心敏.
Ab Initio Metadynamics Simulations of Hexafluoroisopropanol Solvent Effects: Synergistic Role of Solvent H-Bonding Networks and Solvent-Solute C–H/π Interactions
.Chem. Eur. J.
.2022
(73)
(38)宋新宇.
Endohedral σ？Diradical Nitrogen-Vacancy Diamond Nanoclusters with a Confined Magnetic Space and Strong Electronic Spin Couplings
.JOURNAL OF PHYSICAL CHEMISTRY A
.2022
(126):3174
(39)吴苏晴.
Unique Solvated Electron State and Its Remarkable Enhancement Effect on Internuclear J-Couplings in Fluorocarbon Cage Electron Clathrates
.The Journal of Physical Chemestry C
.2022
,126
(10):4965
(40)王琦.
Intriguing strain-governed magnetic phase transitions in 2D vanadium porphyrin sheets
.Phys. Chem. Chem. Phys。
.2022
,24
(6):3834
(41)董霄霄.
Dual External Field Engineered Hyperhalogen
.Journal of Physical Chemistry Letters
.2022
,13
(17):3942
(42)黎俊.
Organic ligand mediated evolution fro aluminum-based superalkalis to superatomic molecules and one-dimensional nanowires
.Nano Research
.2022
(15):1162
(43)步宇翔.
液态甲胺中双稳态溶剂化双电子
.山东大学报
.2021
(10):114
(44)步宇翔.
复杂体系溶剂化电子的研究进展
.Scientia Sinica Chimica
.2021
,51
(6):714
(45)施俊杰.
Stability and Formation Mechanism of Endohedral Metal Carbonitride Clusterfullerenes
.Acta Physico-chimica Sinica
.2021
,37
(10)
(46)施俊杰.
Stability and Formation Mechanism of Endohedral Metal Carbonitride Clusterfullerenes
.Acta Physico-chimica Sinica
.2021
,37
(10)
(47)Tian, Shubo.
Dual-atom Pt heterogeneous catalyst with excellent catalytic performances for the selective hydrogenation and epoxidation
.NATURE COMMUNICATIONS
.2021
,12
(1)
(48)黎俊.
Organic ligand mediated evolution from aluminum-based superalkalis to superatomic molecules and one-dimensional nanowires
.Nano Research
.2021
(49)黄海财.
A sandwich-like Ga2FeS4-supported single metal atom as a promising bifunctional electrocatalyst for overall water splitting
.Journal of Materials Chemistry A
.2021
,9
(34):18594
(50)王冰雪.
Regulating the Catalytic Performance of a Dual-Atom Iron Species Deposited on Graphitic Carbon Nitride for Electrochemical Nitrogen Reduction
.The Journal of Physical Chemistry C
.2021
,125
(26):14253
(51)田书博.
Dual-atom Pt heterogeneous catalyst with excellent catalytic performances for the selective hydrogenation and epoxidation
.NATURE COMMUNICATIONS
.2021
(12):3181
(52)付强.
Spatial Confinement as an Effective Strategy for Improving the Catalytic Selectivity in Acetylene Hydrogenation
.ACS Applied Materials & Interfaces
.2020
,12
(35):39352
(53)黄海财.
Adsorption energy as a promising single-parameter descriptor for single atom catalysis in the oxygen evolution reaction
.Journal of Materials Chemistry A
.2021
,9
(10):6442
(54)张宏淑.
Hydroxide-Enhanced Superexchange Magnetic Couplings in Ionic Clathrate Hydrates
.The Journal of Physical Chemestry C
.2020
,124
(46):25455
(55)张宏淑.
Magnetic Dioxygen Clathrate Hydrates: A Type of Promising Building Blocks for Icy Crystalline Materials
.The Journal of Physical Chemestry C
.2020
,124
(19):10669
(56)薛利娟.
General Dual-Switched Dynamic Singlet Fission Channels in Solvents Governed Jointly by Chromophore Structural Dynamics and Solvent Impact: Singlet Prefission Energetics Analyses
.Journal of the American Chemical Society
.2020
,142
(41):17469
(57)Omri, Nabil.
Azomethine ylide addition impact on functionalized [60]Fullerene and [60] Boron-Nitride: Anticancer Doxorubicin and Boronic Chalcone drugs binding characteristics with mono- and bis-nanocarriers
.Colloids and Surfaces B: Biointerfaces
.2020
,196
(58)黄山.
Regulating Work Function of [Ca24Al28O64](4+):4e(-) Electrides Via Changing Solvated Electron Characters
.Journal of Physical Chemistry Letters
.2021
,12
(13):3274
(59)朱颖.
A facile strategy for synthesis of porous Cu2O nanospheres and application as nanozymes in colorimetric biosensing
.Journal of Materials Chemistry B
.2021
(60)高亮.
Molecular Dynamics Characterization of Dielectron Hydration in Liquid Water with Unique Double Proton Transfers
.Journal of chemical theory and computation
.2021
,17
(2):666
(61)Nabil Omri.
Functionalization of [60] Fullerene through photochemical reaction for fulleropyrrolidine nanovectors synthesis: Experimental and theoretical approaches
.Colloids and Surfaces B: Biointerfaces
.2021
,198
(62)Nabil Omri.
TD-DFT Studies on sp- and sp(2)-Hybridized Single Vacancy-Defected [60]Fullerene: Electronic Excitation and Nonlinear Optical Properties of C59 [9-4] and C59 [8-5] Isomers
.JOURNAL OF PHYSICAL CHEMISTRY A
.2021
,125
(1):106
(63)宋秀芳.
Electric field controlled uphill electron migration along alpha-helical oligopeptides
.Phys. Chem. Chem. Phys。
.2021
,23
(2):1464
(64)付强.
Spatial Confinement as an Effective Strategy for Improving the Catalytic Selectivity in Acetylene Hydrogenation
.ACS Applied Materials & Interfaces
.2020
,12
(35):39352
(65)步宇翔.
Magnetic Dioxygen Clathrate Hydrates: A Type of Promising Building Blocks for Icy Crystalline Materials
.The Journal of Physics Chemistry C
.2020
,124
:10669
(66)步宇翔.
Protonation-Enhanced Antiferromagnetic Couplings in Azobenzene- Bridged Diradicals
.The Journal of Physics Chemistry C
.2017
:17160
(67)宋新宇.
A green and general strategy for the synthesis of hollow Ag/CdS nanocomposites for superior SERS performance
.CrystEngComm1
.2019
,21
:3709
(68)黄海财.
Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction
.journal of materials chemistry A
.2020
(8):9202
(69)赵阳.
Tuning the Electronic Properties and Performance of Low-Temperature CO Oxidation of the Gold Cluster by Oriented External Electronic Field
.J Phys Chem Letters
.2020
,11
:1093
(70)黄海财.
Surface Modification Strategy for Promoting the Performance of Non-noble Metal Single-Atom Catalysts in Low-Temperature CO Oxidation
.ACS Appl. Mater. Interfaces,
.2020
,12
:19457
(71)王琦.
Unexpected diradical character and large magnetic spin coupling in modified porphyrins induced by inverting pyrrole rings
.Phys. Chem. Chem. Phys。
.2019
,21
(31):17209
(72)陈东晓.
Rational Design of Organic Magnets with Switchable Two-Way Couplers: Magnetic Modulation or Switching through Lactam-Lactim Tautomerization
.The Journal of Physical Chemestry C
.2019
,123
(23):14152
(73)李珊珊.
A green and general strategy for the synthesis of hollow Ag/CdS nanocomposites for superior SERS performance
.CrystEng Comm
.2019
,21
(24):3709
(74)宋秀芳.
Nonlinear Migration Dynamics of Excess Electrons along Linear Oligopeptides Controlled by an Applied Electric Field
.chemphyschem
.2019
,20
(11):1497
(75)黄海北.
Effect of Paramagnetic Open-Shell Gadolinium(III) Texaphyrin on Its Kinetics and Electronic Structures in Fluorescence and Phosphorescence Emission States
.The Journal of Physical Chemestry C
.2019
,123
(46):28327
(76)陈东晓.
Rational magnetic modification of N,N-dioxidized pyrazine ring expanded adenine and thymine: a diradical character induced by base pairing and double protonation
.Phys. Chem. Chem. Phys。
.2019
,21
(36):20095
(77)黎俊.
Polymeric tungsten carbide nanoclusters: structural evolution, ligand modulation, and assembled nanomaterials
.NANOSCALE
.2019
,11
(42):19903
(78)张楠.
Oct-4/Sox-2协同调控下游基因表达的分子机制
.《生物物理学报》
.2007
(79)连鹏.
Tethered-Hopping Model for Protein-DNA Binding and Unbinding Based on Sox2-Oct1-Hoxb1 Ternary Complex Simulations
.Biophysical Journal
.2010
(7)
(80)张常哲.
Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions
.PhysChemChemPhys, 2016, 18, 23812-23821
.2016
(81)张茹.
Bifurcate localization modes of excess electron in aqueous Ca2+ amide solution revealed by ab initio molecular dynamics simulation: towards hydrated electron versus hydrated amide anion
.PhysChemChemPhys, 2016, 18, 18868-18879
.2019
(82)罗奇.
Intriguing electric field effect on magnetic spin couplings in dielectron clathrate hydrates
.International Journal of Quantum Chemistry
.2019
,119
(13)
(83)张常哲.
Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions
.PhysChemChemPhys, 2016, 18, 23812-23821
.2016
(84)张茹.
Bifurcate localization modes of excess electron in aqueous Ca2+ amide solution revealed by ab initio molecular dynamics simulation: towards hydrated electron versus hydrated amide anion
.PhysChemChemPhys, 2016, 18, 18868-18879
.2019
(85)王治平.
Dynamics Insight into Isomerization and Dissociation of Hot Criegee Intermediate CH3CHOO
.JOURNAL OF PHYSICAL CHEMISTRY A
.2019
,123
(5):1085
(86)宋秀芳.
Dynamic Relaying Properties of a beta-Turn Peptide in Long-Range Electron Transfer
.Journal of Computational Chemistry
.2019
,40
(9):988
(87)步宇翔.
Intriguing diaza effects on magnetic coupling characteristics in diaza‐benzo[k]tetraphene‐bridged nitroxide diradicals
.International Journal of Quantum Chemistry
.2018
,118
:1
(88)宋新宇.
Spin coupling interactions in CQC or B–B-cored
.Physical chemistry chemical physics
.2018
,80
:8099
(89)张凤英.
Intriguing diaza effects on magnetic coupling characteristics in diaza-benzo[k]tetraphene-bridged nitroxide diradicals
.International Journal of Quantum Chemistry
.2018
,118
(18)
(90)王琦.
Proton-Transfer-Regulated Magnetic Spin Couplings in Nitroxide-Functionalized Porphycene Diradicaloids
.The Journal of Physical Chemestry C
.2019
,123
(17):10764
(91)Zhang, Changzhe.
Unusual Indirect Nuclear Spin-Spin Exchange Coupling through Solvated Electron
.Journal of Physical Chemistry Letters
.2018
,9
(4):689
(92)罗奇.
Dielectron Clathrate Hydrates with Unique Superexchange Spin Couplings
.JOURNAL OF PHYSICAL CHEMISTRY C
.2018
,122
(14):7635
(93)赵沛文.
Remarkable Differences in Spin Couplings for Various Self-Paired Dimers of Ring-Expansion-Radicalized Uracil: A Basis for the Design of Magnetically Anisotropic Assemblies
.chemphyschem
.2018
,19
(2):208
(94)高亮.
Protonation-modulated localization of excess electrons in histidine aqueous solutions revealed by ab initio molecular dynamics simulations: anion-centered versus cation-centered localization
.Physical chemistry chemical physics
.2017
,19
(21):13807
(95)宋枚育.
Tuning the Spin Coupling Interactions in the Nitroxide-Based Bisphenol-Like Diradicals
.chemphyschem
.2017
,18
(18):2487
(96)宋枚育.
Core-Modified Porphyrin Diradicals with a C=C Unit: Redox-Driven Magnetic Switchinge
.JOURNAL OF PHYSICAL CHEMISTRY C
.2017
,121
(39):21231
(97)宋枚育.
Remarkable Magnetic Coupling Interactions in Multi-Beryllium-Expanded Small Graphene-like Molecules with Well -Defined Polyradical Characters
.Organometallics
.2017
,36
(8):1505
(98)郭美珍.
Facile and economical synthesis of ZnS nanotubes and their superior adsorption performance for organic dyes
.CrystEngComm
.2017
,19
(17):2380
(99)冯逸伟.
Diradicalized biphenyl derivative carbon-based material molecules: exploring the tuning effects on magnetic couplings
.Physical chemistry chemical physics
.2017
,19
(8):5932
(100)张常哲.
Efficient floating diffuse functions for accurate characterization of the surface-bound excess electrons in water cluster anions
.Physical chemistry chemical physics
.2017
,19
(4):2816
(101)步宇翔.
DFT Studies On The Mechanism Of The Conversion Of Thiols Into Disulfides And Dihydrogen Catalyzed By Cpmn(CO)3 Complex
.J ORGANOMET CHEM
.2012
,706
:89
(102)步宇翔.
Radicalized DNA Bases through Ring-Expansion Modification: An Intriguing Class of Building Blocks for the Magnetic DNA Nanowires
.J Phys Chem C,
.2012
,116
(114):23214
(103)宋新宇.
Computational design of the magnetism-tunable oligobenzylic carbanion complexes
.THEOR CHEM ACC
.2014
,133
:1460
(104)宋新宇.
Redox-Modulated Magnetic Transformations between Ferro- and Antiferromagnetism in Organic Systems
.J. Phys. Chem. C
.2015
(119):27930
(105)宋新宇.
Structural fluctuation governed dynamic diradical character in pentacene
.Phys. Chem. Chem. Phys.
.2015
,17
:13904
(106)宋新宇.
construction of reduced graphene oxide-supported Ag–Cu2O composites with hierarchical structures for enhanced photocatalytic activities and recyclability
.J. Mater Chem. A
.2015
,3
:5923
(107)宋新宇.
Magnetism-Tunable Oligoacene Dioxide Diradicals: An Intriguing Class of Promising Magnetic Oligoacene-like Molecules
.chemphyschem
.2012
,13
:4148
(108)步宇翔.
Multi-Zinc-Expanded Graphene Patches: Tetraradical Versus Diradical Character
.J. Comput. Chem.
.2012
,33
(1733):1733
(109)步宇翔.
离子液中溶剂化电子的结构及其演化动力学
.化学进展
.2012
,24
(6):1094
(110)步宇翔.
Interaction and Protection Mechanism between Li@C60 and Nucleic Acid Bases (NABs): Performance of PM6-DH2 on Noncovalent Interaction of NABs-Li@C60
.J Comput Chem
.2012
,33
:490
(111)步宇翔.
Multi-Zinc-Expanded Oligoacenes: An Intriguing Class of Well-Defined Open-Shell Singlet Diradicals_
.J Phys Chem C
.2012
,116
:5900
(112)步宇翔.
Trapping of excess electrons at the microhydrated protonated amino groups in proteins
.J Chem Phys
.2012
,136
:105101
(113)步宇翔.
Rational Design for Building Blocks of DNA-Based Conductive Nanowires through Multi-Copper Incorporation into Mismatched Base Pairs
.chemphyschem
.2012
,13
(14):3293
(114)步宇翔.
A Peptide Loop and An alpha-Helix N-terminal Serving as Alternative Electron Hopping Relays in Proteins
.PhysChemChemPhys
.2012
,14
:15849
(115)步宇翔.
Solvation and evolution dynamics of an excess electron in supercritical CO2
.Phys Rev Lett
.2012
,108
(13):207601
(116)时永香.
Oct-4/Sox-2协同调控下游基因表达的分子机制
.《生物物理学报》
.2007
(117)时永香.
Tethered-Hopping Model for Protein-DNA Binding and Unbinding Based on Sox2-Oct1-Hoxb1 Ternary Complex Simulations
.Biophysical Journal
.2010
(118)赵沛文.
Rational Design of Magnetic DNA Motifs with Diradical Character: Nitroxide Functionalization of Nucleobases
.JOURNAL OF PHYSICAL CHEMISTRY C
.2018
,122
(29):16488
(119)赵沛文.
Azobenzene-bridged diradical janus nucleobases with photo-converted magnetic properties between antiferromagnetic and ferromagnetic couplings
.Journal of Computational Chemistry
.2018
,39
(20):1398
(120)张常哲.
Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions
.PhysChemChemPhys, 2016, 18, 23812-23821
.2016
(121)张茹.
Bifurcate localization modes of excess electron in aqueous Ca2+ amide solution revealed by ab initio molecular dynamics simulation: towards hydrated electron versus hydrated amide anion
.PhysChemChemPhys, 2016, 18, 18868-18879
.2019
(122)罗奇.
Intriguing electric field effect on magnetic spin couplings in dielectron clathrate hydrates
.International Journal of Quantum Chemistry
.2019
,119
(13)
(123)王治平.
Dynamics Insight into Isomerization and Dissociation of Hot Criegee Intermediate CH3CHOO
.JOURNAL OF PHYSICAL CHEMISTRY A Journal
.2019
,123
(5):1085
(124)宋秀芳.
Dynamic Relaying Properties of a beta-Turn Peptide in Long-Range Electron Transfer
.Journal of Computational Chemistry
.2019
,40
(9):988
(125)步宇翔.
Intriguing diaza effects on magnetic coupling characteristics in diaza‐benzo[k]tetraphene‐bridged nitroxide diradicals
.International Journal of Quantum Chemistry
.2018
,118
:1
(126)Zhang, Changzhe.
Unusual Indirect Nuclear Spin-Spin Exchange Coupling through Solvated Electron
.Journal of Physical Chemistry Letters
.2018
,9
(4):689
(127)宋枚育.
Core-Modified Porphyrin Diradicals with a C=C Unit: Redox-Driven Magnetic Switchinge
.JOURNAL OF PHYSICAL CHEMISTRY C
.2017
, 121
(39):21231
(128)宋新宇.
Computational design of the magnetism-tunable oligobenzylic carbanion complexes
.THEOR CHEM ACC
.2014
,133
:1460
(129)宋新宇.
Redox-Modulated Magnetic Transformations between Ferro- and Antiferromagnetism in Organic Systems
.J. Phys. Chem. C
.2015
(119):27930
(130)宋新宇.
Structural fluctuation governed dynamic diradical character in pentacene
.Phys. Chem. Chem. Phys.
.2015
,17
:13904
(131)宋新宇.
construction of reduced graphene oxide-supported Ag–Cu2O composites with hierarchical structures for enhanced photocatalytic activities and recyclability
.J. Mater Chem. A
.2015
,3
:5923
(132)宋新宇.
Magnetism-Tunable Oligoacene Dioxide Diradicals: An Intriguing Class of Promising Magnetic Oligoacene-like Molecules
.chemphyschem
.2012
,13
:4148
(133)时永香.
Oct-4/Sox-2协同调控下游基因表达的分子机制
.《生物物理学报》
.2007
(134)时永香.
Tethered-Hopping Model for Protein-DNA Binding and Unbinding Based on Sox2-Oct1-Hoxb1 Ternary Complex Simulations
.Biophysical Journal
.2010
(135)王琦.
Proton-Transfer-Regulated Magnetic Spin Couplings in Nitroxide-Functionalized Porphycene Diradicaloids
.The Journal of Physical Chemestry C
.2019
,123
(17):10764
(136)郭美珍.
Facile and economical synthesis of ZnS nanotubes and their superior adsorption performance for organic dyes
.CrystEngComm
.2017
, 19
(17):2380
(137)张凤英.
Intriguing diaza effects on magnetic coupling characteristics in diaza-benzo[k]tetraphene-bridged nitroxide diradicals
.International Journal of Quantum Chemistry
.2018
,118
(18)
(138)时永香.
Tethered-Hopping Model for Protein-DNA Binding and Unbinding Based on Sox2-Oct1-Hoxb1 Ternary Complex Simulations
.Biophysical Journal
.2010
(139)Zhang, Changzhe.
Unusual Indirect Nuclear Spin-Spin Exchange Coupling through Solvated Electron
.Journal of Physical Chemistry Letters
.2018
,9
(4):689
(140)冯逸伟.
Diradicalized biphenyl derivative carbon-based material molecules: exploring the tuning effects on magnetic couplings
.Physical chemistry chemical physics
.2017
, 19
(8):5932
(141)宋新宇.
construction of reduced graphene oxide-supported Ag–Cu2O composites with hierarchical structures for enhanced photocatalytic activities and recyclability
.J. Mater Chem. A
.2015
,3
:5923
(142)宋枚育.
Remarkable Magnetic Coupling Interactions in Multi-Beryllium-Expanded Small Graphene-like Molecules with Well -Defined Polyradical Characters
.Organometallics
.2017
, 36
(8):1505
(143)宋新宇.
Spin coupling interactions in CQC or B–B-cored
.Physical chemistry chemical physics
.2018
,80
:8099
(144)罗奇.
Dielectron Clathrate Hydrates with Unique Superexchange Spin Couplings
.JOURNAL OF PHYSICAL CHEMISTRY C
.2018
,122
(14):7635
(145)宋枚育.
Core-Modified Porphyrin Diradicals with a C=C Unit: Redox-Driven Magnetic Switchinge
.JOURNAL OF PHYSICAL CHEMISTRY C
.2017
, 121
(39):21231
(146)宋枚育.
Tuning the Spin Coupling Interactions in the Nitroxide-Based Bisphenol-Like Diradicals
.chemphyschem
.2017
, 18
(18):2487
(147)宋新宇.
Redox-Modulated Magnetic Transformations between Ferro- and Antiferromagnetism in Organic Systems
.J. Phys. Chem. C
.2015
(119):27930
(148)宋新宇.
Structural fluctuation governed dynamic diradical character in pentacene
.Phys. Chem. Chem. Phys.
.2015
,17
:13904
(149)宋新宇.
Computational design of the magnetism-tunable oligobenzylic carbanion complexes
.THEOR CHEM ACC
.2014
,133
:1460
(150)宋新宇.
Magnetism-Tunable Oligoacene Dioxide Diradicals: An Intriguing Class of Promising Magnetic Oligoacene-like Molecules
.chemphyschem
.2012
,13
:4148
(151)时永香.
Oct-4/Sox-2协同调控下游基因表达的分子机制
.《生物物理学报》
.2007
(152)赵沛文.
Azobenzene-bridged diradical janus nucleobases with photo-converted magnetic properties between antiferromagnetic and ferromagnetic couplings
.Journal of Computational Chemistry
.2018
,39
(20):1398
(153)高亮.
Protonation-modulated localization of excess electrons in histidine aqueous solutions revealed by ab initio molecular dynamics simulations: anion-centered versus cation-centered localization
.Physical chemistry chemical physics
.2017
, 19
(21):13807
(154)赵沛文.
Remarkable Differences in Spin Couplings for Various Self-Paired Dimers of Ring-Expansion-Radicalized Uracil: A Basis for the Design of Magnetically Anisotropic Assemblies
.chemphyschem
.2018
,19
(2):208
(155)赵沛文.
Rational Design of Magnetic DNA Motifs with Diradical Character: Nitroxide Functionalization of Nucleobases
.JOURNAL OF PHYSICAL CHEMISTRY C
.2018
,122
(29):16488
(156)张常哲.
Efficient floating diffuse functions for accurate characterization of the surface-bound excess electrons in water cluster anions
.Physical chemistry chemical physics
.2017
, 19
(4):2816
(157)步宇翔.
Interaction and Protection Mechanism between Li@C60 and Nucleic Acid Bases (NABs): Performance of PM6-DH2 on Noncovalent Interaction of NABs-Li@C60
.J Comput Chem
.2012
,33
:490
(158)步宇翔.
DFT Studies On The Mechanism Of The Conversion Of Thiols Into Disulfides And Dihydrogen Catalyzed By Cpmn(CO)3 Complex
.J ORGANOMET CHEM
.2012
,706
:89
(159)步宇翔.
Multi-Zinc-Expanded Oligoacenes: An Intriguing Class of Well-Defined Open-Shell Singlet Diradicals_
.J Phys Chem C
.2012
,116
:5900
(160)步宇翔.
Trapping of excess electrons at the microhydrated protonated amino groups in proteins
.J Chem Phys
.2012
,136
:105101
(161)步宇翔.
Multi-Zinc-Expanded Graphene Patches: Tetraradical Versus Diradical Character
.J. Comput. Chem.
.2012
,33
(1733):1733
(162)步宇翔.
离子液中溶剂化电子的结构及其演化动力学
.化学进展
.2012
,24
(6):1094
(163)步宇翔.
Radicalized DNA Bases through Ring-Expansion Modification: An Intriguing Class of Building Blocks for the Magnetic DNA Nanowires
.J Phys Chem C,
.2012
,116
(114):23214
(164)步宇翔.
Rational Design for Building Blocks of DNA-Based Conductive Nanowires through Multi-Copper Incorporation into Mismatched Base Pairs
.chemphyschem
.2012
,13
(14):3293
(165)步宇翔.
A Peptide Loop and An alpha-Helix N-terminal Serving as Alternative Electron Hopping Relays in Proteins
.PhysChemChemPhys
.2012
,14
:15849
(166)步宇翔.
Solvation and evolution dynamics of an excess electron in supercritical CO2
.Phys Rev Lett
.2012
,108
(13):207601
(167)步宇翔.
Intriguing diaza effects on magnetic coupling characteristics in diaza‐benzo[k]tetraphene‐bridged nitroxide diradicals
.International Journal of Quantum Chemistry
.2018
,118
:1
