理论化学、计算化学、计算生物学

Jiande Gu,* Yaoming Xie, and Henry F. Schaefer III* Benchmarking the Electron Affinity of Uracil The Journal of Chemical Theory and Computation, 2014, ASAP.

Jing Wang, Jiande Gu,* Minh Tho Nguyen, Greg Springsteen, and Jerzy Leszczynski* From Formamide to Adenine: A Self-Catalytic Mechanism for an Abiotic Approach The Journal of Physical Chemistry B, 2013, in press.

Jiande Gu,*Jerzy Leszczynski, and Henry F. Schaefer III* Interactions of Electrons with Bare and Hydrated Biomolecules (Theory) Chemical Reviews, 2012, 112: 5603-5640.

Jiande Gu,* Guoming Liang, Yaoming Xie, and Henry F. Schaefer III* Electron Attachment to Solvated dGpdG: Effects of Stacking on Base-Centered and Phosphate-Centered Valence-Bound Radical Anions Chemistry – A European Journal, 2012,18: 5232-5238.

Qianyi Chen, Jiande Gu, Katie R. Compaan, and Henry F. Schaefer III* Isoguanine Formation from Adenine Chemistry – A European Journal; 2012, 18:4877-4886.

Jiande Gu,* Jing Wang, and Jerzy Leszczynski* Electron attachment-induced DNA single-strand breaks at the pyrimidine sites Nucleic Acids Research; 2010, 38; 5280-5290

Jiande Gu,* Yaoming Xie, and Henry F. Schaefer III* Electron Attachment to Hydrated Oligonucleotide Dimers: Guanylyl-3’,5’-Cytidine and Cytidylyl-3’,5’-Guanosine Chemistry – A European Journal; 2010,16; 5089-5096

Qianyi Chen, Jiande Gu, Katie R. Compaan, and Henry F. Schaefer III* Hydroxyl Radical Reactions with Adenine: Reactant Complexes, Transition States, and Product Complexes. Chemistry – A European Journal; 2010, 16:5089-5096.(Cover)

Jiande Gu,* Ning-Bew Wong, Yaoming Xie, and Henry F. Schaefer III* Electron Attachment to a Hydrated DNA Duplex: The Dinucleoside Phosphate Deoxyguanylyl-3',5'-Deoxycytidine Chemistry – A European Journal; 2010,16:13155-13162.

Jiande Gu,* Yaoming Xie, and Henry F. Schaefer III* Electron attachment to oligonucleotide dimers in water: Microsolvation-assisted base-stacking forms Chemical Physics Letters; (Frontiers Article) 2009, 473; 213-219