| Carbon dioxide in the nitrosation of amine: catalyst or inhibitor? Z Sun, YD Liu, RG Zhong The Journal of Physical Chemistry A 115 (26), 7753-7764, 2011 | 37 | 2011 |
| Theoretical Investigation of N-Nitrosodimethylamine Formation from Nitrosation of Trimethylamine Z Sun, YD Liu, RG Zhong The Journal of Physical Chemistry A 114 (1), 455-465, 2010 | 27 | 2010 |
| Theoretical investigation of the isomerization of N2O3 and the N-nitrosation of dimethylamine by asym-N2O3, sym-N2O3, and trans–cis N2O3 isomers Z Sun, YD Liu, CL Lv, RG Zhong Journal of Molecular Structure: THEOCHEM 908 (1-3), 107-113, 2009 | 17 | 2009 |
| The Hydrogen Abstraction Reaction H2S + OH → H2O + SH: Convergent Quantum Mechanical Predictions M Tang, X Chen, Z Sun, Y Xie, HF Schaefer The Journal of Physical Chemistry A 121 (47), 9136-9145, 2017 | 13 | 2017 |
| Vibrational frequencies, structures, and energetics of the highly challenging alkali metal trifluorides MF3 (M= Li, Na, K, Rb, and Cs) Z Sun, HF Schaefer Physical Chemistry Chemical Physics 20 (28), 18986-18994, 2018 | 12 | 2018 |
| Does the metal–metal sextuple bond exist in the bimetallic sandwich compounds Cr2(C6H6)2, Mo2(C6H6)2, and W2(C6H6)2? Z Sun, HF Schaefer III, Y Xie, Y Liu, R Zhong Molecular Physics 111 (16-17), 2523-2535, 2013 | 11 | 2013 |
| Theoretical investigation of reactivities of amines in the N-nitrosation reactions by N2O3 Z Sun, YD Liu, R Zhong Journal of molecular modeling 17 (4), 669-680, 2011 | 10 | 2011 |
| Alkali Metal Trihalides: M+ X3ˉ Ion Pair or MX-X2 Complex? Z Sun, KB Moore, JG Hill, KA Peterson, HF Schaefer, R Hoffmann The Journal of Physical Chemistry B 122 (13), 3339–3353, 2018 | 9 | 2018 |
| The reactions of Cr(CO)6, Fe(CO)5, and Ni(CO)4 with O2 yield viable oxo‐metal carbonyls Z Sun, HF Schaefer, Y Xie, Y Liu, R Zhong Journal of computational chemistry 35 (13), 998-1009, 2014 | 9 | 2014 |
| Thioformaldehyde S-Sulfide, Sulfur Analogue of the Criegee Intermediate: Structures, Energetics, and Rovibrational Analysis KV Murphy, WJ Morgan, Z Sun, HF Schaefer III, J Agarwal The Journal of Physical Chemistry A 121 (5), 998-1006, 2017 | 8 | 2017 |
| The Influence of phosphate buffer on the formation of N-nitrosodimethylamine from dimethylamine nitrosation L Xu, Z Sun, QM Liu, YD Liu, RG Zhong, F Wu Journal of Chemistry 2013, 2013 | 7 | 2013 |
| Prediction and Characterization of Alkaline‐Earth (M= Be, Mg, Ca, Sr, and Ba) Metallacyclopentadienes and Relevant Derivatives Z Sun, AM Launder, HF Schaefer III ChemistrySelect 2 (4), 1442-1453, 2017 | 6 | 2017 |
| The Al + CO2 → AlO + CO Reaction: Experiment vs. Theory Z Sun, KB Moore III, HF Schaefer III The Journal of Chemical Physics 147 (17), 171101, 2017 | 4 | 2017 |
| Experimental and theoretical investigation of effects of ethanol and acetic acid on carcinogenic NDMA Formation in simulated gastric fluid O Zhang, X Zou, QH Li, Z Sun, YD Liu, RG Zhong The Journal of Physical Chemistry A 120 (26), 4505-4513, 2016 | 3 | 2016 |
| Cyclobutyne: Minimum or Transition State? Z Sun, HF Schaefer The Journal of Organic Chemistry 84 (9), 5548−5553, 2019 | 2 | 2019 |
| Reactions of Amine and Peroxynitrite: Evidence for Hydroxylation as Predominant Reaction and New Insight into the Modulation of CO2 Z Sun, YD Liu, RG Zhong The Journal of Physical Chemistry A 116 (30), 8058-8066, 2012 | 2 | 2012 |
| Prototypical metal–oxo bonds: the reactions of Cr(PF3)6, Fe(PF3)5, and Ni(PF3)4 with oxygen Z Sun, HF Schaefer, Y Xie, Y Liu, R Zhong Theoretical Chemistry Accounts 134 (4), 43, 2015 | 1 | 2015 |
| Theoretical investigation of the isomerization and dissociation reactions of all the HOONO2 isomers J Zhao, Z Sun, YD Liu, R Zhong Journal of Molecular Structure: THEOCHEM 959 (1-3), 42-48, 2010 | 1 | 2010 |
| Theoretical Investigation of N-Nitrosation Mechanism of Amino Acids Mediated by N2O3 Z Sun, YD Liu, RG Zhong 2009 3rd International Conference on Bioinformatics and Biomedical …, 2009 | 1 | 2009 |
| Dibenzene dichromium: Is this the sextuple bond? Z Sun, RB King, HF Schaefer III ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaVerified email at uga.edu
