Yuxiang Bu

发表

A hydration function scheme of electron transfer kinetics for hydrated redox couples in solution and its application in the Cr2+(aq)Cr3+(aq) system

Yuxiang Bu, F. He, Yangjun Ding, 1997 .

Reorganization energies of electron hetero-exchange reactions of hydrated redox pairs in solution from a hydration function model

Yuxiang Bu, C. Deng, Fuqing Xu, 1997 .

Nonadiabatic electron transfer rate of hydrated redox couples in solution: a novel scheme for the hydration potential function

Yuxiang Bu, C. Deng, Da-ren Guan, 1997 .

THEORETICAL STUDY OF ELECTRONIC TRANSMISSION COEFFICIENT OF OUTER-SPHERE ELECTRON SELF-EXCHANGE REACTIONS IN SOLUTION : A HYDRATION FUNCTION SCHEME

Yuxiang Bu, C. Deng, Yongjun Liu, 1997 .

Multi-Zinc-Expanded Oligoacenes: An Intriguing Class of Well-Defined Open-Shell Singlet Diradicals

Xinyu Song, Yuxiang Bu, Hongfang Yang, 2012 .

Computational Studies: Proton/Water Coupling to Metals in Biological Reaction Mechanisms

R. Cukier, Yuxiang Bu, 2009 .

Theoretical investigation on the structural and electronic properties of complexes formed by N7,N9-dimethylguaninium and different anions

Yuxiang Bu, Changjian Zhang, Dianxiang Xing, 2010 .

Theoretical studies on the properties of uracil and its dimer upon thioketo substitution

Nana Wang, Yuxiang Bu, Ping Li, 2008 .

Theoretical scheme for the determination of the electron transfer integrals for the coordination systems in solution

Yuxiang Bu, Jianyong Liu, S. Ding, 2000 .

O2+O2− electron transfer reactivity in the quartet state from ab initio calculation including electron correlation

Yuxiang Bu, C. Liu, Chengbu Liu, 1999 .

Theoretical studies on the inner-sphere reorganization energies for the self-exchange reactions of gas-phase diatomic molecules HA (A = Mg, Al, Si, P, S, Cl)

Linlin Qiu, Yuxiang Bu, Yuhua Zhang, 1995 .

A THEORETICAL SCHEME TO OBTAIN THE INNER-SPHERE REORGANIZATION ENERGIES FOR HA + HA+ (A = BE, B, C, N, O AND F) SELF-EXCHANGE REACTIONS VIA IONIZATION POTENTIALS AND ELECTRON AFFINITIES

Xinyu Song, Yuxiang Bu, C. Deng, 1995 .

Theoretical study of the pyridine–BF3 complex

Yuxiang Bu, C. Liu, Fancui Meng, 2002 .

Theoretical investigation of glycine–2Ben+ (n=0,1,2) complexes in gas phase: Origin of negative dissociation energies

Zhi-da Chen, Yuxiang Bu, H. Ai, 2003 .

Structure and property of glycine's derivatives bound by multications (H+, Li+, and Na+): A theoretical study

Keli Han, Yuxiang Bu, H. Ai, 2002 .

Theoretical studies on structural properties and electron transfer reactivity of the C4H4O/C4H4O+ furan coupling pair

Yuxiang Bu, Shihai Yan, Lixiang Sun, 2004 .

Isomerization of HNO to HON in the singlet state assisted by amino acid residues and/or water molecules

Yuxiang Bu, Ping Li, Wei-hua Wang, 2008 .

Pairing strength and proton characters of the N7,N9-dimethylated GC and AT base pairs: a density functional theory investigation

Yuxiang Bu, Dianxiang Xing, Xiaohua Chen, 2007 .

Dynamics Insight into Isomerization and Dissociation of Hot Criegee Intermediate CH3CHOO.

Zhiping Wang, Yuxiang Bu, Y. Dyakov, 2019, The journal of physical chemistry. A.

Redox-Modulated Magnetic Transformations between Ferro- and Antiferromagnetism in Organic Systems: Rational Design of Magnetic Organic Molecular Switches

Xinyu Song, Yuxiang Bu, Fengying Zhang, 2015 .

Intriguing radical–radical interactions among double-electron oxidized adenine–thymine base pairs

Mei Wang, J. Zhao, Yuxiang Bu, 2015 .

The capture of ·H and ·OH radicals by vitamin C and implications for the new source for the formation of the anion free radical.

Haitao Sun, Yuxiang Bu, Zhitao Shen, 2010, Physical chemistry chemical physics : PCCP.

A peptide loop and an α-helix N-terminal serving as alternative electron hopping relays in proteins.

Jing Zhao, Yuxiang Bu, Jing Zhao, 2012, Physical chemistry chemical physics : PCCP.

Intriguing diaza effects on magnetic coupling characteristics in diaza-benzo[k ]tetraphene-bridged nitroxide diradicals

Xinyu Song, Yuxiang Bu, Xiufang Song, 2018, International Journal of Quantum Chemistry.

Core-Modified Porphyrin Diradicals with a C═C Unit: Redox-Driven Magnetic Switching

Xinyu Song, Yuxiang Bu, Meiyu Song, 2017 .

Protonation-Enhanced Antiferromagnetic Couplings in Azobenzene-Bridged Diradicals

Xinyu Song, Yuxiang Bu, Fengying Zhang, 2017 .

Computational design of the magnetism-tunable oligobenzylic carbanion complexes

Jing Zhao, Xinyu Song, Yuxiang Bu, 2014, Theoretical Chemistry Accounts.

Electron transfer reactivity of methyl-substituted amine NHn(CH3)3-n/NHn(CH3)+3-n (n=0-3) self-exchange systems: a theoretical investigation

Qiao Sun, Yuxiang Bu, Xueli Cheng, 2005 .

Novel Bonding Character of the Cyclic AlS2 and GaS2 Systems

Xinyu Song, Yuxiang Bu, Yi-Bo Nie, 2010 .

Structural properties and electron transfer reactivity of NX3/NX3+ (X=H, F) coupling systems

Keli Han, Qiao Sun, Yuxiang Bu, 2005 .

Structures and bonding character of cyclic AsO2 and AsS2 systems in the doublet state

Yuxiang Bu, Shihai Yan, Lixiang Sun, 2004 .

Structure analysis of [P,N,O] species in singlet and triplet states at density functional theory and wavefunction-correlated levels

Yuxiang Bu, Shihai Yan, Lixiang Sun, 2004 .

Structure analysis of SiSO+ and GeSO+ systems in doublet state at density functional theory and wavefunction-correlated levels

Yuxiang Bu, Shihai Yan, Lixiang Sun, 2003 .

The bonding character of AlSO isomers in quartet excited states: Ab initio and density functional theory studies

Yuxiang Bu, 2002 .

The structural character of AlS2 species in quartet state: prediction at density functional theory and the correlated-wave function levels

Xinyu Song, Yuxiang Bu, Chenkui Xiahou, 2001 .

The bonding character of the cyclic AlO 2 and AlS 2 systems: comparison investigation at DFT and the electron correlation levels

Xinyu Song, Yuxiang Bu, D. Chan, 2001 .

Theoretical prediction of the state–state correlation among doublet state AlSO isomers

Yuxiang Bu, 2001 .

Theoretical investigation of the cyclic GaO2 and GaS2 molecules at DFT and correlated wave function levels

Xinyu Song, Yuxiang Bu, D. Chan, 2001 .

Structural analysis of the cyclic AlO2 and AlS2 systems in doublet and quartet states at density functional theory and the electron correlation levels

Xinyu Song, Yuxiang Bu, 2000 .

The bonding character of the cyclic AlSO and GaSO species: ab initio investigations at density functional theory and the electron correlation levels

Yuxiang Bu, 2000 .

Theoretical prediction of the structures and properties of cyclic AlS2 and GaS2 systems at density functional theory and all-electron correlation levels

Xinyu Song, Yuxiang Bu, Chengbu Liu, 2000 .

Electron transfer reactivity of O2+O 2− system in low‐spin coupling: Ab Initio study at electron correlation level

Haitao Sun, Yuxiang Bu, Hongbo Niu, 1999 .

Structure and property study of the O2 + O2− electron transfer system

Yixuan Wang, Haitao Sun, Yuxiang Bu, 1998 .

Electron bridging dihydrogen bond in the imidazole-contained anion derivatives.

R. Cukier, Yuxiang Bu, Shihai Yan, 2006, The Journal of chemical physics.

Theoretical study of the N2⋯CO+ coupling system using density functional theory

Yuxiang Bu, Ping Li, 2003 .

Intriguing electric field effect on magnetic spin couplings in dielectron clathrate hydrates

Yuxiang Bu, Q. Luo, 2019, International Journal of Quantum Chemistry.

The electron-transfer reaction for Co(H 2 O) 6 2+/3+

Yuxiang Bu, C. Liu, Dongju Zhang, 2001 .

The inner-sphere reorganization energies for AH3 + AH3+(−) (A = B, C, N) self-exchange reactions from ab initio calculations

Yuxiang Bu, Z. Cao, Zailun Yang, 1995 .

Oxidative damage to DNA: Theoretical determination of ionization potential of deoxyriboguanosine (dG)–deoxyribocytidine (dC) and proton transfer in its cation

Yuxiang Bu, Lixiang Sun, 2009 .

Intramolecular proton transfer induced by divalent alkali earth metal cation in the gas state

Yuxiang Bu, Ping Li, H. Ai, 2003 .

Theoretical Determinations of Ionization Potential and Electron Affinity of Glycinamide Using Density Functional Theory

Yuxiang Bu, Ping Li, Yuxiang Bu, 2004 .

Nonempirical ab initio studies on inner‐sphere reorganization energies of M2+(H2O)6/M3+(H2O)6 redox couples at valence basis level

Xinyu Song, Yuxiang Bu, F. He, 1997 .

Marked variations of proton release energy of the G–M+ (M = Li, Na) in the water circumstance

Yuxiang Bu, Lixiang Sun, 2009 .

Intriguing Radical–Radical Interactions in Doubly Reduced Dimers: Cytosine Anion Radical versus Hydrogenated Cytosine Radical

Mei Wang, Yuxiang Bu, J. Zhao, 2020 .

The effect of ionization and deprotonation of guanine on the formation of base pairs

Quanwen Liu, Yuxiang Bu, Lixiang Sun, 2012 .

Theoretical prediction of the p53 gene mutagenic mechanism induced by trans-4-hydroxy-2-nonenal.

R. Cukier, Yuxiang Bu, Lixiang Sun, 2007, The journal of physical chemistry. B.

Properties and isomerization mechanism of the singlet state imidazole–imidazolium system

Yuxiang Bu, Shihai Yan, 2006 .

Unique Solvating Effect in Azabenzene Clathrate Hydrates

Q. Fu, Hongshu Zhang, Yuxiang Bu, 2018, The Journal of Physical Chemistry C.

Theoretical study on the gas-phase acidity of multiple sites of Cu+-adenine and Cu2+-adenine complexes.

Yuxiang Bu, Dianxiang Xing, X. Tan, 2008, The journal of physical chemistry. A.

Characterizing the properties of the N7,N9-dimethylguaninium chloride ion pairs: prospecting for the design of a novel ionic liquid.

Yuxiang Bu, Dianxiang Xing, X. Tan, 2008, The journal of physical chemistry. A.

Ab initio time-dependent perturbation study of tunnelling effect in the abstraction of hydrogen from methane by methyl radical

Yuxiang Bu, Yangjun Ding, C. Deng, 1997 .

Proton character of the peptide unit in the Ca2+-binding sites of calcium pump.

R. Cukier, Yuxiang Bu, Shihai Yan, 2006, The journal of physical chemistry. B.

The Coupling Character of Ca2+ with Glutamic Acid: Implication for the Conformational Behavior and Transformation of Ca2+-ATPase in Transmembrane Ca2+ Channel

Yuxiang Bu, Feng Xiang, Ping Li, 2004 .

Remarkable metal counterion effect on the internucleotide J-couplings and chemical shifts of the N-H...N hydrogen bonds in the W-C base pairs.

R. Cukier, Yuxiang Bu, Huifang Li, 2008, The journal of physical chemistry. B.

Effect of metal ions on radical type and proton‐coupled electron transfer channel: σ‐Radical vs π‐radical and σ‐channel vs π‐channel in the imide units

Liang Zhang, Xiaohua Chen, Yuxiang Bu, 2009, J. Comput. Chem..

Cation-modulated electron-transfer channel: H-atom transfer vs proton-coupled electron transfer with a variable electron-transfer channel in acylamide units.

Yuxiang Bu, Xiaohua Chen, 2007, Journal of the American Chemical Society.

Water promoting electron hole transport between tyrosine and cysteine in proteins via a special mechanism: double proton coupled electron transfer.

Yuxiang Bu, Xin Qin, Weichao Sun, 2014, Journal of the American Chemical Society.

Proton-regulated electron transfers from tyrosine to tryptophan in proteins: through-bond mechanism versus long-range hopping mechanism.

Yuxiang Bu, Laibin Zhang, Jun Wang, 2009, The journal of physical chemistry. B.

The orientation and distance-dependence analysis of the electron transfer reactivity: An electron correlation level investigation of Mn2+(H2O)2/Mn3+(H2O)2 system

Yuxiang Bu, Chengbu Liu, Yuxiang Bu, 2000, J. Comput. Chem..

Azobenzene‐bridged diradical janus nucleobases with photo‐converted magnetic properties between antiferromagnetic and ferromagnetic couplings

Yuxiang Bu, Peiwen Zhao, Yuxiang Bu, 2018, Journal of Computational Chemistry.

Relay stations for electron hole migration in peptides: possibility for formation of three-electron bonds along peptide chains.

Zhiping Wang, Yuxiang Bu, Jilai Li, 2008, The journal of physical chemistry. B.

Intramolecular Proton Transfer Modulation of Magnetic Spin Coupling Interaction in Photochromic Azobenzene Derivatives with an Ortho-Site Hydroxyl as a Modulator.

Yuxiang Bu, R. Malik, 2022, The journal of physical chemistry. A.

Glycine-Zn+/Zn2+ and their hydrates: On the number of water molecules necessary to stabilize the switterionic glycine-Zn+/Zn2+ over the nonzwitterionic ones

Keli Han, Yuxiang Bu, H. Ai, 2003 .

ASSOCIATION OF URACIL WITH Zn2+ AND THE HYDRATED Zn2+: A DFT INVESTIGATION

Y. Hu, Yuxiang Bu, Yuxiang Bu, 2007 .

Molecular Vibrations Induced Potential Diradical Character in Hexazapentacene

Xinyu Song, Yuxiang Bu, Yiwei Feng, 2016 .

Coupling Character between Imidazole and Imidazole Cation: Implication for the Coupling Modes of Biomolecular Residues

Yuxiang Bu, Shihai Yan, Ping Li, 2004 .

Peptides-assisted charge transfers in proteins: relay mechanism and its controllability

Yuxiang Bu, 2010 .

Radicalized DNA Bases through Ring-Expansion Modification: An Intriguing Class of Building Blocks for the Magnetic DNA Nanowires

Yuxiang Bu, Jing Zhao, Hongfang Yang, 2012 .

Hydrates of the most stable gas-phase mono- and di-protonated glycine derivatives: origin of no reservation energy bond in glycine-2H2+.

Yuxiang Bu, H. Ai, 2004, The Journal of chemical physics.

Electron-Coupled Proton Transfer Governed Magnetic Spin Couplings and Switching in Defect Nano Silicon Carbide

Xinyu Song, Yuxiang Bu, Xuexing Lin, 2023, The Journal of Physical Chemistry C.

Proton-Transfer-Regulated Magnetic Spin Couplings in Nitroxide-Functionalized Porphycene Diradicaloids

Xinyu Song, Yuxiang Bu, Ping Li, 2019, The Journal of Physical Chemistry C.

Rational Design of Magnetic DNA Motifs with Diradical Character: Nitroxide Functionalization of Nucleobases

Yuxiang Bu, Peiwen Zhao, 2018, The Journal of Physical Chemistry C.

Probing the imine silylenoid HN=SiNaF and its insertions reaction with R–H (R=F, OH, NH2, CH3) using DFT

Xiaojun Tan, Qiufen Wang, Yuxiang Bu, 2008 .

Multi-Copper-Mediated DNA Base Pairs Acting as Suitable Building Blocks for the DNA-Based Nanowires

Yuxiang Bu, Laibin Zhang, Haiying Liu, 2011 .

Theoretical prediction of the contact distance dependence of the electron transfer reactivity of the ClO/ClO− coupling system

Yuxiang Bu, Shihai Yan, Lixiang Sun, 2005 .

Structures and properties of [CN⋯CN−] coupling system in doublet state

Yuxiang Bu, Shihai Yan, Lixiang Sun, 2004 .

Electronic effect on protonated hydrogen-bonded imidazole trimer and corresponding derivatives cationized by alkali metals (Li(+), Na(+), and K(+)).

Yuxiang Bu, Shihai Yan, Ping Li, 2005, The Journal of chemical physics.

Electronic factor in electron self-exchange reaction of hydrated redox ion pairs from thermodynamic data

Yuxiang Bu, C. Deng, 2010 .

3(10)-Helical peptide acting as a dual relay for charge-hopping transfer in proteins.

Ping-ping Liu, Jing Zhao, Yuxiang Bu, 2013, The journal of physical chemistry. B.

Trapping of excess electrons at the microhydrated protonated amino groups in proteins.

Jinxiang Liu, Yuxiang Bu, Hongfang Yang, 2012, The Journal of chemical physics.

The inner-sphere reorganization energies for AH{sub 2} + AH{sub 2}{sup +(-)} (A = Al, Si, P, S) electron self-exchange reactions in electron-transfer processes from ab initio calculations

Yuxiang Bu, Z. Cao, Zailun Yang, 1995 .

THEORETICAL STUDY OF LANDAU-ZENER ELECTRONIC TRANSMISSION FACTOR FOR OUTER-SPHERE ELECTRON TRANSFER REACTIONS IN SOLUTION

Yuxiang Bu, C. Deng, 1996 .

The theoretical scale method and ab initio calculation of structural reorganization energy for diatomic hydrides of first row elements in electron transfer process

Yuxiang Bu, 1994 .

Potential Surface at the Reorganized State and Inner-Sphere Reorganization Energy for Diatomic Molecules in Gaseous Phase Electron-Transfer Processes from ab Initio Calculations

Xinyu Song, Yuxiang Bu, 1994 .

Experiment Scale of Reorganization Free Energy for Diatomic Molecules in the Gaseous Phase in Electron-Transfer Processes.1.The Method of Modifying the Oscillator Potential

Yuxiang Bu, 1994 .

Organic ligand mediated evolution from aluminum-based superalkalis to superatomic molecules and one-dimensional nanowires

Jing Chen, Yuxiang Bu, Shibo Cheng, 2021, Nano Research.

Modulation of proton-coupled electron transfer reactions in lysine-containing alpha-helixes: alpha-helixes promoting long-range electron transfer.

Yuxiang Bu, Xin Qin, Xiaohua Chen, 2022, Physical chemistry chemical physics : PCCP.

Coexistence of solvated electron and benzene-centered valence anion in the negatively charged benzene-water clusters.

Jinxiang Liu, Yuxiang Bu, J. Zhao, 2013, The Journal of chemical physics.

Theoretical studies on the electron capture properties of the H2SO4...HOO˙ complex and its implications as an alternative source of HOOH.

Haitao Sun, Yuxiang Bu, Siwei Bi, 2011, Physical chemistry chemical physics : PCCP.

The regulatory roles of metal ions (M+/2+= Li+, Na+, K+, Be2+, Mg2+, and Ca2+) and water molecules in stabilizing the zwitterionic form of glycine derivatives

Chong Zhang, Yuxiang Bu, Ping Li, 2005 .

Different catalysis role of in-loop and out-of-loop waters in assisting HNS/HSN proton transfer isomerizations: Bridging vs. surrounding effect

Yuxiang Bu, Shihai Yan, M. Qin, 2006 .

Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex.

Yuxiang Bu, Ping Li, Yuxiang Bu, 2004, The Journal of chemical physics.

Exploration on regulating factors for proton transfer along hydrogen-bonded water chains.

R. Cukier, Yuxiang Bu, Shihai Yan, 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

Tethered-hopping model for protein-DNA binding and unbinding based on Sox2-Oct1-Hoxb1 ternary complex simulations.

Yuxiang Bu, Yongxiang Shi, Peng Lian, 2010, Biophysical journal.

Remarkable Magnetic Coupling Interactions in Multi-Beryllium-Expanded Small Graphene-like Molecules with Well-Defined Polyradical Characters

Xinyu Song, Yuxiang Bu, Meiyu Song, 2017 .

Golden-rule treatment on the ClO/ClO+ electron-transfer system

Keli Han, Yuxiang Bu, Shihai Yan, 2003 .

Theoretical study on the ClO/ClO− system electron-transfer reactivity by the Golden-rule

Keli Han, Yuxiang Bu, Shihai Yan, 2003 .

Theoretical studies on the contact distance dependence of the electron transfer reactivity of the ClO/ClO+ coupling system

Yuxiang Bu, Shihai Yan, Lixiang Sun, 2003 .

The orientation and distance‐dependence analysis of the electron transfer reactivity: An electron correlation level investigation of Mn2+(H2O)2/Mn3+(H2O)2 system

Yuxiang Bu, C. Liu, Chengbu Liu, 2000 .

Ab initio study of the structural reorganization of AH2 (A = B, C, N, O) molecules in a gaseous-phase electron transfer process

Yuxiang Bu, Bao-Lin Wang, 1994 .

Large equatorial ligand effects on C-H bond activation by nonheme iron(IV)-oxo complexes.

U. Ryde, Yuxiang Bu, Xiaoli Sun, 2014, The journal of physical chemistry. B.

Ab initio investigations of nonadiabatic electron-transfer reactivity of monohydrated transition-metal-ion redox couples M2+–OH2/M3+–OH2 (M=V, Cr, Mn and Fe)

Yuxiang Bu, C. Deng, DongHao Zhou, 1999 .

Ab initio calculation of inner-sphere reorganization energy for the Fe2+ (H2O)6/Fe3+ (H2O)6 electron transfer system

Xinyu Song, Yuxiang Bu, Shuxiang Liu, 1994 .

Theoretical studies on the coupling interactions in H2SO4···HOO˙···(H2O)n (n = 0-2) clusters: toward understanding the role of water molecules in the uptake of HOO˙ radical by sulfuric acid aerosols.

Haitao Sun, Yuxiang Bu, Siwei Bi, 2011, Physical chemistry chemical physics : PCCP.

Single- versus Multi-Proton-Coupled Rydberg-State Electron Transfer in Amine Clusters

Yuxiang Bu, Xiaohua Chen, 2014 .

Coupling properties of imidazole dimer radical cation assisted by embedded water molecule: toward understanding of interaction character of hydrogen-bonded histidine residue side-chains.

Yuxiang Bu, Shihai Yan, 2005, The Journal of chemical physics.

Alteration of Imidazole Dimer on Oxidation or Water Ligation

Yuxiang Bu, Shi Fang Yan and, 2004 .

Effects of Donors and Acceptors on the Energetics and Mechanism of Proton, Hydrogen, and Hydride Release from Imidazole

R. Cukier, Yuxiang Bu, 2004 .

Ab initio studies on hydrogen-transfer tunneling for Cl + HCl abstraction hydrogen reaction

Xinyu Song, Yuxiang Bu, Z. Cao, 1996 .

Fragmentation and deformation mechanism of glycine isomers in gas phase: Investigations of charge effect.

Yuxiang Bu, Ping Li, H. Ai, 2004, The Journal of chemical physics.

Theoretical exploration of structures and electronic properties of double-electron oxidized guanine-cytosine base pairs with intriguing radical-radical interactions.

Yuxiang Bu, J. Zhao, Mei Wang, 2013, Physical chemistry chemical physics : PCCP.

An effective scheme for selecting basis sets for ab initio calculations

Shui-Tong Lee, Keli Han, Jianhua Huang, 2000 .

Ca2+ selectivity of the sarcoplasmic reticulum Ca2+-ATPase at the enzyme-water interface and in the Ca2+ entrance channel.

R. Cukier, Yuxiang Bu, Feng Xiang, 2007, The journal of physical chemistry. B.

Electronic promotion effect of double proton transfer on conduction of DNA through improvement of transverse electronic communication of base pairs.

Yuxiang Bu, Laibin Zhang, Jilai Li, 2011, The Journal of chemical physics.

Ab initio study of inner-sphere reorganization energy for diatomic molecules in gas-phase electron transfer processes

Yuxiang Bu, Yuhua Zhang, 1995 .

Radical-radical interactions among oxidized guanine bases including guanine radical cation and dehydrogenated guanine radicals.

Mei Wang, Ping-ping Liu, Yuxiang Bu, 2013, The journal of physical chemistry. B.

Interplay between invasive single atom Pt and native oxygen vacancy in rutile TiO2(110) surface: A theoretical study

Yuxiang Bu, Liang Zhang, Wenming Sun, 2021, Nano Research.

Distance dependence analysis of the electron transfer reactivity for the metastable Fe 2+ OH 2 /Fe 3+ OH 2 system: an ab initio investigation

Yuxiang Bu, 2001 .

Ab initio prediction of Mn2+OH2/Mn3+OH2 electron transfer reactivity at electron correlation level

Xinyu Song, Yuxiang Bu, Yi‐Bo Nie, 2000 .

Cr2+OH2/Cr3+OH2 electron transfer reactivity: an ab initio study at UMP2/6-311+G* level including all electron correlation

Xinyu Song, Yuxiang Bu, Chengbu Liu, 1999 .

Double proton transfer and one‐electron oxidation behavior in double H‐bonded glycinamide–glycine complex in the gas phase

Ping Li, Yuxiang Bu, Yuxiang Bu, 2005, J. Comput. Chem..

Golden-rule treatment of the O2+O−2 electron-transfer reaction

Yuxiang Bu, C. Deng, DongHao Zhou, 1999 .

THEORETICAL STUDIES ON THE COUPLING INTERACTIONS AND SELF-EXCHANGE REACTION MECHANISMS IN THE COMPLEXES OF NO WITH ONH AND NOH

Yuxiang Bu, Ping Li, Xiaoyan Xie, 2008 .

Electronic Enhancement Effect of Copper Modification of Base Pairs on the Conductivity of DNA

Yuxiang Bu, Jilai Li, Haiying Liu, 2011 .

Investigations of coupling characters in ionic liquids formed between the 1-ethyl-3-methylimidazolium cation and the glycine anion.

Yuxiang Bu, Ping Li, Rui Song, 2008, The journal of physical chemistry. B.

Rational design of hetero-ring-expanded guanine analogs with enhanced properties for modified DNA building blocks.

Yuxiang Bu, Robert I Cukier, R. Cukier, 2007, The journal of physical chemistry. B.

An inner-sphere reorganization model of hetero-exchange electron transfer reaction of diatomic reactants

Xinyu Song, Yuxiang Bu, C. Deng, 1996 .

Theoretical study of the inner‐sphere energy barrier of the transition‐metal complex M(H2O) 62+/3+ in electron‐transfer process

Yuxiang Bu, Dongju Zhang, Chengbu Liu, 1999 .

Theoretical sstudy on the Co2+OH2+/Co3+OH2+ electron transfer reactivity

Zhi-da Chen, Yuxiang Bu, Lemin Li, 2001 .

Hydration Model for the Energy Barrier in Self-Exchange Electron Transfer Reactions in Solution

Yuxiang Bu, C. Deng, 1997 .

THEORETICAL STUDY OF V2+OH2/V3+OH2 ELECTRON TRANSFER REACTIVITY AT ELECTRON CORRELATION LEVEL

Xinyu Song, Yuxiang Bu, Chengbu Liu, 1999 .

Theoretical Inner-Sphere Reorganization Energies of Gaseous Diatomic Molecules from Vibrational Spectroscopic Data

Yuxiang Bu, 1995 .

Large equatorial ligand effects on C-H bond activation by nonheme iron(IV)-oxo complexes.

U. Ryde, Yuxiang Bu, Xiaoli Sun, 2014, The journal of physical chemistry. B.

Proton-regulated electron transfers from tyrosine to tryptophan in proteins: through-bond mechanism versus long-range hopping mechanism.

Yuxiang Bu, Jun Wang, Haiying Liu, 2009, The journal of physical chemistry. B.