| Year |
Citation |
Score |
| 2020 |
McNeill AS, Zhan CG, Appel AM, Stanbury DM, Dixon DA. The H•/H Redox Couple and Absolute Hydration Energy of H. The Journal of Physical Chemistry. A. PMID 32574051 DOI: 10.1021/Acs.Jpca.0C03833 |
0.528 |
|
| 2015 |
Yao M, Chen X, Zhan CG. Reaction Pathway and Free Energy Barrier for Urea Elimination in Aqueous Solution. Chemical Physics Letters. 625: 143-146. PMID 25821238 DOI: 10.1016/j.cplett.2015.02.048 |
0.317 |
|
| 2013 |
Qiao Y, Han K, Zhan CG. Fundamental reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of heroin. Biochemistry. 52: 6467-79. PMID 23992153 DOI: 10.1021/Bi400709V |
0.318 |
|
| 2006 |
Xiong Y, Zhan CG. 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. PMID 17107116 DOI: 10.1021/jp063140p |
0.308 |
|
| 2004 |
Zhan C, Dixon DA. 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. DOI: 10.1021/Jp0311512 |
0.404 |
|
| 2003 |
Zhan C, Zheng F, Dixon DA. Theoretical studies of photoelectron spectra of SO42−(H2O)n clusters and the extrapolation to bulk solution The Journal of Chemical Physics. 119: 781-793. DOI: 10.1063/1.1576758 |
0.471 |
|
| 2003 |
Zhan CG, Nichols JA, Dixon DA. 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. DOI: 10.1021/Jp0225774 |
0.454 |
|
| 2003 |
Zhan C, Dixon DA. The Nature and Absolute Hydration Free Energy of the Solvated Electron in Water The Journal of Physical Chemistry B. 107: 4403-4417. DOI: 10.1021/Jp022326V |
0.463 |
|
| 2003 |
Dixon DA, Feller D, Zhan C, Francisco JS. The gas and solution phase acidities of HNO, HOONO, HONO, and HONO2 International Journal of Mass Spectrometry. 227: 421-438. DOI: 10.1016/S1387-3806(03)00095-2 |
0.466 |
|
| 2002 |
Zhan CG, Zheng F, Dixon DA. 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. PMID 12465993 DOI: 10.1021/Ja021026O |
0.431 |
|
| 2002 |
Zhan CG, Dixon DA, Sabri MI, Kim MS, Spencer PS. Theoretical determination of chromophores in the chromogenic effects of aromatic neurotoxicants. Journal of the American Chemical Society. 124: 2744-52. PMID 11890826 DOI: 10.1021/Ja0113394 |
0.43 |
|
| 2002 |
Zhan CG, Dixon DA. A density functional theory approach to the development of Q-e parameters for the prediction of reactivity in free-radical copolymerizations Journal of Physical Chemistry A. 106: 10311-10325. DOI: 10.1021/Jp020497U |
0.373 |
|
| 2002 |
Zhan CG, Dixon DA. First-principles determination of the absolute hydration free energy of the hydroxide ion Journal of Physical Chemistry A. 106: 9737-9744. DOI: 10.1021/Jp014533L |
0.461 |
|
| 2002 |
Dixon DA, Feller D, Zhan C, Francisco JS. Decomposition Pathways of Peroxynitrous Acid: Gas-Phase and Solution Energetics The Journal of Physical Chemistry A. 106: 3191-3196. DOI: 10.1021/Jp013783Z |
0.395 |
|
| 2002 |
Zhan CG, Dixon DA. Electronic excitations in pyrrole: A test case for determination of chromophores in the chromogenic effects of neurotoxic hydrocarbons by time-dependent density functional theory and single-excitation configuration interaction methods Journal of Molecular Spectroscopy. 216: 81-89. DOI: 10.1006/Jmsp.2002.8622 |
0.389 |
|
| 2001 |
Zhan CG, Dixon DA. Absolute hydration free energy of the proton from first-principles electronic structure calculations Journal of Physical Chemistry A. 105: 11534-11540. DOI: 10.1021/Jp012536S |
0.525 |
|
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