Freeman, Fillmore - University of California, Irvine

研究领域

Organic and Synthetic/Theoretical and Computational

近期论文

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Freeman, F.; Bui, A.; Dinh, L.; Hehre, W. J. Dehydrative Cyclocondensation of Hydrogen Thioperoxide and of Alkanesulfenic Acids. J. Phys. Chem. A 2012, 116, 8031-8039. Freeman, F. Mechanism of the Cysteine Sulfenic Acid O-Sulfenylation of 1,3-Cyclohexanedione. Chem. Commun. 2014, 50, 4102-4104. Freeman, F.; Adesina, I. T.; La, J. L. ; Lee, J. Y.; Poplawski, A. A. Conformers of Cysteine and Cysteine Sulfenic Acid and Mechanisms of the Reaction of Cysteine Sulfenic Acid with 5,5-Dimethyl-1,3-cyclohexanedione (Dimedone). J. Phys. Chem. B. 2013, 117, 16000-16012. Freeman, F.; Lau, D. J.; Atitkumar, P. R.; Pavia, P. R.; Willey, J. D. Substituent Effects on Singlet-Triplet Gaps and Mechanisms of 1,2-Rearrangements of 1,3-Oxazol-2-ylidenes to 1,3-Oxazoles J. Phys. Chem. A 2008, 112, 8775-8784. Freeman, F.; Po, H. N.; Ho, T. S.; Wang, X. Electrochemical Oxidation of 2-Pyrimidinethiols and Theoretical Study of Their Dimers, Disulfides, Sulfenyl Radicals, and Tautomers J. Phys. Chem. A 2008, 112, 1643-1655. Freeman, F.; Hwang, J. H.; Junge, E. H.; Parmar, P. D.; Ren, Z.; Trinh, J. Conformational Analysis of Cycloheptane, Oxacycloheptane, 1,2-Dioxacycloheptane, 1,3-Dioxacycloheptane, and 1,4-Dioxacycloheptane Int. J. Quantum Chem. 2007, 108, 339-350. Freeman, F.; Entezam, B.; Gomerooni, F.; Welch, T. S.; Shainyan, B. A. Computational Study of Conformations and of Sulfinyl Oxygen-Induced Pentacoordination at Silicon in 4-Chloro-4-silathiacyclohexane 1-Oxide and 4,4-Dichloro-4-silathiacyclohexane 1-Oxide, J. Organomet. Chem., 2005, 690, 4103-4113. Freeman, F.; Po, H. N. Dimers of and Tautomerism Between 2-Pyrimidinethiol and 2(1H)-Pyrimidinethione: A Density Functional Theory (DFT) Study, J. Physical Chem. A, 2006, 110, 7904-7912. Freeman, F.; Bathala, R. M.; Huang, A. C.; Jackson, T. K.; Lopez-Mercado, A. Z.; Phung, S.; Suh, J.; Valenica, Jr., D. O. [2,3]-Sigmatropic Rearrangements of Hydrogen and Alkyl 3-Propenyl Sulfoxides: A Computational Study, Int. J. Quantum Chem. 2006, 106, 2390-2397. Relative Energies of Conformations and Sulfinyl Oxygen-Induced Pentacoordination at Silicon in 4-Bromo-, and 4,4-Dibromo-4-silathiacyclohexane 1-Oxide, Int. J. Quantum Chem., 2005, 105, 313-324. Freeman, F.; Fang, C.; Hoang, D. V.; Trinh, K. M. Relative Energies of Conformations of Stannacyclohexane, 1-Methylstannacyclohexane and 1,1-Dimethylstannacyclohexane: Effect of Theoretical Levels Int. J. Quantum Chem., 2005, 105, 416-428. Freeman, F.; Cha, C.; Fang, C.; Huang, A. C.; Hwang, J. H.; Louie, P. L.; Shainyan, B. A. Relative Energies, Stereoelectronic Interactions and Conformational Interconversions in Silathiacyclohexanes J. Phys. Org. Chem. 2005, 18, 35-48. Freeman, F.; Dang, P.; Huang, A. C.; Mack, A.; Wald, K. 1,3-Dipolar Cycloaddition of Azomethine Ylide with Ethene and 2-Butene: A Computational Study Tetrahedron Lett., 2005, 46, 1993-1995. Shainyan, B. A.; Kirpichenko, S. V.; Freeman, F. Sila-Pummerer Rearrangement of Cyclic Sulfoxides: Computational Study of the Mechanism, J. Am. Chem. Soc., 2004, 126, 11456-11457. Freeman, F.; Kasner, M. L.; Hehre, W. J. An Ab Initio Molecular Orbital Theory and Density Functional Theory Study of Conformers of Tetrahydro-2H-pyran, J. Phys. Chem. A 2001, 105, 10123-10132. "Kinetics of the Base-Catalyzed Permanganate Oxidation of Benzaldehyde," Wiberg, K. B.; Freeman, F. J. Org. Chem. 2000, 65, 573-576.