Chang-Guo Zhan
Affiliations: | Chemistry | Pacific Northwest National Laboratory, Richland, WA, United States |
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Publications
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| McNeill AS, Zhan CG, Appel AM, et al. (2020) The H•/H Redox Couple and Absolute Hydration Energy of H. The Journal of Physical Chemistry. A |
| Yao M, Chen X, Zhan CG. (2015) Reaction Pathway and Free Energy Barrier for Urea Elimination in Aqueous Solution. Chemical Physics Letters. 625: 143-146 |
| Qiao Y, Han K, Zhan CG. (2013) Fundamental reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of heroin. Biochemistry. 52: 6467-79 |
| Xiong Y, Zhan CG. (2006) Theoretical studies of the transition-state structures and free energy barriers for base-catalyzed hydrolysis of amides Journal of Physical Chemistry A. 110: 12644-12652 |
| Zhan C, Dixon DA. (2004) Hydration of the Fluoride Anion: Structures and Absolute Hydration Free Energy from First-Principles Electronic Structure Calculations The Journal of Physical Chemistry A. 108: 2020-2029 |
| Zhan C, Zheng F, Dixon DA. (2003) Theoretical studies of photoelectron spectra of SO42−(H2O)n clusters and the extrapolation to bulk solution The Journal of Chemical Physics. 119: 781-793 |
| Zhan CG, Nichols JA, Dixon DA. (2003) Ionization potential, electron affinity, electronegativity, hardness, and electron excitation energy: Molecular properties from density functional theory orbital energies Journal of Physical Chemistry A. 107: 4184-4195 |
| Zhan C, Dixon DA. (2003) The Nature and Absolute Hydration Free Energy of the Solvated Electron in Water The Journal of Physical Chemistry B. 107: 4403-4417 |
| Dixon DA, Feller D, Zhan C, et al. (2003) The gas and solution phase acidities of HNO, HOONO, HONO, and HONO2 International Journal of Mass Spectrometry. 227: 421-438 |
| Zhan CG, Zheng F, Dixon DA. (2002) Electron affinities of Al(n) clusters and multiple-fold aromaticity of the square Al4(2-) structure. Journal of the American Chemical Society. 124: 14795-803 |