Hong S. Wang

发表

Unimolecular decomposition of the n-C3H7 radical. Direct dynamics calculation of the thermal rate constant

I. H. Hillier, M. Pilling, Luminita C. Jitariu, 2001 .

Theoretical study on AlnO2 (n = 1–10) clusters and O2 adsorption on the Al(111) surface

Zesheng Li, Chia-Chung Sun, Wencai Lu, 2007 .

Molecular dynamics simulations reveal insight into key structural elements of aaptamines as sortase inhibitors with free energy calculations

X. Niu, Hong S. Wang, Zhuo Lv, 2013 .

Insight into the key active sites of afChiA1 based on molecular dynamics simulations and free energy calculations

X. Niu, Hong S. Wang, Zhuo Lv, 2016 .

Theoretical investigation on the structures of silicon and carbon hetero clusters

Zesheng Li, Chia-Chung Sun, Wencai Lu, 2006 .

The use of methods involving semi-empirical molecular orbital theory to study the structure and reactivity of transition metal complexes.

I. H. Hillier, J. Mcnamara, Matthias Mohr, 2003, Faraday discussions.

Oxygen atom transfer reactions in inorganic analogues of the active site of dimethyl sulfoxide reductase; a DFT and ONIOM (DFT:PM3) study

J. Mcnamara, Ian H. Hillier *, Hong S. Wang, 2005 .

Theoretical Study on the Mechanism of CH + O2 Reaction

Hongwei Gao, Hong S. Wang, X. Niu, 2011 .

Theoretical investigation on the adsorption of lithium atom on the Sin cluster (n=2–7)

Zesheng Li, Wencai Lu, Hong S. Wang, 2005 .

Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions.

G. Tresadern, N. Burton, I. H. Hillier, 2003, Faraday discussions.

Extreme tunnelling in methylamine dehydrogenase revealed by hybrid QM/MM calculations: potential energy surface profile for methylamine and ethanolamine substrates and kinetic isotope effect values

Gary Tresadern, Neil A. Burton, G. Tresadern, 2003 .

The development of a PM3 parameter set to describe iron–sulfur proteins

Mahesh Sundararajan, Neil A. Burton, N. Burton, 2005 .