Yaoming Xie

发表

Designing new Togni reagents by computation.

Henry F Schaefer, Yun-Dong Wu, Ying Chen, 2019, Chemical communications.

Local Hybrid Divide-and-Conquer Method for the Computation of Medium and Large Molecules.

Zhen Hua Li, Zhi-Pan Liu, Wenning Wang, 2008, Journal of chemical theory and computation.

Benchmarking the Electron Affinity of Uracil.

Henry F Schaefer, Jiande Gu, Yaoming Xie, 2014, Journal of chemical theory and computation.

Smart green underground metro station in Singapore

Steven Lai, Hadi Wijaya, Yaoming Xie, 2017 .

Near 0 eV electrons attach to nucleotides.

Jiande Gu, Yaoming Xie, Henry F Schaefer, 2006, Journal of the American Chemical Society.

Electron attachment to a hydrated DNA duplex: the dinucleoside phosphate deoxyguanylyl-3',5'-deoxycytidine.

Jiande Gu, Ning-Bew Wong, Yaoming Xie, 2010, Chemistry.

F + (H2O)2 reaction: the second water removes the barrier.

Yaoming Xie, Henry F Schaefer, H. Schaefer, 2013, The journal of physical chemistry. A.

To stack or not to stack: Performance of a new density functional for the uracil and thymine dimers

Jerzy Leszczynski, Jiande Gu, Henry F. Schaefer, 2008 .

Binuclear manganese and rhenium carbonyls M2(CO)n (n = 10, 9, 8, 7): comparison of first row and third row transition metal carbonyl structures.

Yaoming Xie, R. King, Bing Xu, 2008, Dalton transactions.

Gallium Clusters Gan (n = 1−6): Structures, Thermochemistry, and Electron Affinities

Wenguo Xu, Henry F. Schaefer, Yaoming Xie, 2004 .

The exothermic HCl + OH·(H2O) reaction: removal of the HCl + OH barrier by a single water molecule.

Henry F. Schaefer, Yaoming Xie, H. Schaefer, 2014, The Journal of chemical physics.

Structures, thermochemistry, and electron affinities of the germanium fluorides, GeFn/GeFn−(n=1–5)

Wenguo Xu, Henry F. Schaefer, Yaoming Xie, 1999 .

On the chemistry of Zn-Zn bonds, RZn-ZnR (R = [{(2,6-Pri2C6H3)N(Me)C}2CH]): synthesis, structure, and computations.

Hongyan Wang, Yaoming Xie, Xiao-Juan Yang, 2005, Journal of the American Chemical Society.

Systematic Investigation of Electronic and Molecular Structures for the First Transition Metal Series Metallocenes M(C5H5)2 (M = V, Cr, Mn, Fe, Co, and Ni)

Yaoming Xie, H. Schaefer, Zhenfeng Xu, 2003 .

Are Cyclogallenes (M2(GaH)3) (M: Li, Na, K) Aromatic?

Peter R. Schreiner, Henry F. Schaefer, Yaoming Xie, 1997 .

DNA nucleosides and their radical anions: molecular structures and electron affinities.

Jiande Gu, Yaoming Xie, H. Schaefer III, 2004, Journal of the American Chemical Society.

Aspects of the reaction mechanism of ethane combustion. 2. Nature of the intramolecular hydrogen transfer

David Moncrieff, Henry F. Schaefer, Yaoming Xie, 1994 .

Anchoring the potential energy surface for the Br + H2O → HBr + OH reaction

Henry F. Schaefer, Yaoming Xie, H. Schaefer, 2014, Theoretical Chemistry Accounts.

The dichotomy of dimetallocenes: coaxial versus perpendicular dimetal units in sandwich compounds.

Yaoming Xie, R. King, H. Schaefer III, 2005, Journal of the American Chemical Society.

Glycosidic bond cleavage of pyrimidine nucleosides by low-energy electrons: a theoretical rationale.

Jiande Gu, Yaoming Xie, Henry F Schaefer, 2005, Journal of the American Chemical Society.

A [10]Annulene isomer may be aromatic, after all

Henry F. Schaefer, Yaoming Xie, Haijun Jiao, 1995 .

The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods.

Yaoming Xie, H. Schaefer, Qian-Shu Li, 2012, Physical chemistry chemical physics : PCCP.