Yuxiang Bu

发表

Electron transfer reactivity of O2+O2- system in low-spin coupling: Ab Initio study at electron correlation level

Yuxiang Bu, Haitao Sun, Hongbo Niu, 1999, J. Comput. Chem..

Redox‐induced configuration conversion for thioacetamide dimer can function as a molecular switch

Haiying Liu, Xiaohua Chen, Yuxiang Bu, 2010, J. Comput. Chem..

Interaction and protection mechanism between li@C60 and nucleic acid bases (NABs): Performance of PM6‐DH2 on noncovalent interaction of NABs‐Li@C60

Yixuan Wang, Yuxiang Bu, Wenming Sun, 2012, 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.

Internucleotide J‐couplings and chemical shifts of the NH···N hydrogen‐bonds in the radiation‐damaged guanine‐cytosine base pairs

Li Han, Huifang Li, Laibin Zhang, 2011, J. Comput. Chem..

Conformational transition pathway in the allosteric process of calcium‐induced recoverin: Molecular dynamics simulations

Chia-Chung Sun, Yuxiang Bu, Xu-Ri Huang, 2009, J. Comput. Chem..

Dynamic relaying properties of a β‐turn peptide in long‐range electron transfer

Yuxiang Bu, Xiufang Song, Fengying Zhang, 2018, J. Comput. Chem..

Molecular dynamics simulation exploration of cooperative migration mechanism of calcium ions in sarcoplasmic reticulum Ca2+‐ATPase

Huifang Li, Yuxiang Bu, Yongqi Huang, 2009, J. Comput. Chem..

Absorption and fluorescence emission spectroscopic characters of naphtho‐homologated yy‐DNA bases and effect of methanol solution and base pairing

Huifang Li, Laibin Zhang, Xiaohua Chen, 2009, J. Comput. Chem..

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..

Multi‐zinc‐expanded graphene patches: Tetraradical versus diradical character

Hongfang Yang, Xinyu Song, Yuxiang Bu, 2012, J. Comput. Chem..

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..

Investigations of Double Proton Transfer Behavior between Glycinamide and Formamide Using Density Functional Theory

Yuxiang Bu, Ping Li, 2004 .

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

Yuxiang Bu, Ping Li, Yuxiang Bu, 2004 .

Density functional studies on conformational behaviors of glycinamide in solution

Yuxiang Bu, Ping Li, Hongqi Al, 2004 .

Double Proton Transfer and One-Electron Oxidation Behaviors in Double H-Bonded Glycinamide-Formamidine Complex and Comparison with Biological Base Pair

Yuxiang Bu, Ping Li, Shihai Yan, 2004 .

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.

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.

Photophysical characters of rationally designed hetero-ring-expanded guanine analogues and effect of cytosine pairing.

Yuxiang Bu, Laibin Zhang, 2008, The journal of physical chemistry. B.

Acid−Base Behavior Study of Glycinamide Using Density Functional Theory

Yuxiang Bu, Ping Li, Hongqi Ai, 2004 .

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.

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.

Multiwater-Assisted Proton Transfer Study in Glycinamide Using Density Functional Theory

Yuxiang Bu, Ping Li, 2004 .