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Michelle Miller Francl, PhD - Publications

Affiliations: 
Chemistry Bryn Mawr, Bryn Mawr, PA, United States 
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30 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Francl M. Making molecular monsters. Nature Chemistry. 10: 1-2. PMID 29256516 DOI: 10.1038/Nchem.2920  0.301
2013 Francl M. Take a number Nature Chemistry. 5: 725-726. PMID 23965662 DOI: 10.1038/Nchem.1733  0.303
2006 Wang X, Mallory FB, Mallory CW, Beckmann PA, Rheingold AL, Francl MM. CF3 rotation in 3-(trifluoromethyl)phenanthrene. X-ray diffraction and ab initio electronic structure calculations. The Journal of Physical Chemistry. A. 110: 3954-60. PMID 16539417 DOI: 10.1021/Jp056662Y  0.346
2005 Bundens JW, Seida PR, Jeyakumar D, Francl MM. An ab initio molecular orbital study of the reduction of carbonyls by alkylaluminum complexes. Journal of Molecular Graphics & Modelling. 24: 195-202. PMID 16126421 DOI: 10.1016/J.Jmgm.2005.06.005  0.731
2003 Seida PR, Bundens JW, Francl MM. Ab Initio MO Study of the Symmetrical and Asymmetrical Isomers of Bridging Alkynylaluminum and Alkynylberyllium Dimers International Journal of Quantum Chemistry. 95: 806-809. DOI: 10.1002/Qua.10690  0.733
2000 Mallory FB, Mallory CW, Butler KE, Lewis MB, Xia AQ, Luzik ED, Fredenburgh LE, Ramanjulu MM, Van QN, Francl MM, Freed DA, Wray CC, Hann C, Nerz-Stormes M, Carroll PJ, et al. Nuclear spin-spin coupling via nonbonded interactions. 8. The distance dependence of through-space fluorine-Fluorine coupling Journal of the American Chemical Society. 122: 4108-4116. DOI: 10.1021/Ja993032Z  0.774
2000 Francl MM, Chirlian LE. The pluses and minuses of mapping atomic charges to electrostatic potentials Reviews in Computational Chemistry. 14: 1-31.  0.74
1999 Bundens JW, Yudenfreund J, Francl MM. Transition States for the Carboalumination of Alkenes and Alkynes Organometallics. 18: 3913-3920. DOI: 10.1021/Om990350Y  0.767
1997 Carey C, Chirlian LE, Francl MM, Gange DM. Beyond CHELP: improved potential derived charges for sugars. Glycoconjugate Journal. 14: 501-5. PMID 9249150 DOI: 10.1023/A:1018511804498  0.766
1996 Francl MM, Carey C, Chirlian LE, Gange DM. Charges fit to electrostatic potentials. II. Can atomic charges be unambiguously fit to electrostatic potentials? Journal of Computational Chemistry. 17: 367-383. DOI: 10.1002/(Sici)1096-987X(199602)17:3<367::Aid-Jcc11>3.0.Co;2-H  0.762
1994 Williams HJ, Scott AI, Dieden RA, Swindell CS, Chirlian LE, Francl MM, Heerding JM, Krauss NE. NMR and molecular modeling study of active and inactive taxol analogues in aqueous and nonaqueous solution Canadian Journal of Chemistry. 72: 252-260. DOI: 10.1139/v94-038  0.754
1994 Williams HJ, Scott AI, Dieden RA, Swindell CS, Chirlian LE, Francl MM, Heerding JM, Krauss NE. NMR and molecular modeling study of active and inactive taxol analogues in aqueous and nonaqueous solution Canadian Journal of Chemistry. 72: 252-260. DOI: 10.1139/V94-038  0.762
1993 Bundens JW, Francl MM. Transition states for hydroalumination of alkenes and alkynes: Ab initio molecular orbital studies Organometallics. 12: 1608-1615. DOI: 10.1021/Om00029A019  0.756
1993 Williams HJ, Scott AI, Dieden RA, Swindell CS, Chirlian LE, Francl MM, Heerding JM, Krauss NE. NMR and molecular modeling study of the conformations of taxol and of its side chain methylester in aqueous and non-aqueous solution. Tetrahedron. 49: 6545-6560. DOI: 10.1016/S0040-4020(01)81823-8  0.754
1990 Chey J, Choe HS, Chook YM, Jensen E, Seida PR, Francl MM. π-Complexes of alkenes to trivalent aluminum Organometallics. 9: 2430-2436. DOI: 10.1021/Om00159A009  0.783
1988 Francl MM, Pellow RC, Allen LC. Phosphoranes: Multiple bonding and substituent effects Journal of the American Chemical Society. 110: 3723-3728. DOI: 10.1021/Ja00220A001  0.492
1988 McGrath MP, Francl MM, Rowland FS, Hehre WJ. Isomers of nitric acid and chlorine nitrate Journal of Physical Chemistry. 92: 5352-5357. DOI: 10.1021/J100330A008  0.577
1987 Lim KT, Francl MM. Stability of rotational transition structures in amides and thioamides Journal of Physical Chemistry. 91: 2716-2721. DOI: 10.1021/J100295A014  0.323
1987 Chirlian LE, Francl MM. Atomic charges derived from electrostatic potentials: A detailed study Journal of Computational Chemistry. 8: 894-905. DOI: 10.1002/Jcc.540080616  0.773
1985 Friedman DS, Francl MM, Allen LC. Anionic hyperconjugation Tetrahedron. 41: 499-506. DOI: 10.1016/S0040-4020(01)96491-9  0.443
1984 Dobbs KD, Francl MM, Hehre WJ. Conformational preferences in Mo2L6 complexes Inorganic Chemistry. 23: 24-26. DOI: 10.1021/Ic00169A007  0.58
1984 Francl MM, Hout RF, Hehre WJ. Representation of electron densities. 1. Sphere fits to total electron density surfaces Journal of the American Chemical Society. 106: 563-570. DOI: 10.1002/Chin.198419069  0.52
1983 Francl MM, Pietro WJ, Hout RF, Hehre WJ. Conformational preferences in transition-metal carbenes Organometallics. 2: 815-818. DOI: 10.1021/Om50001A006  0.726
1983 Francl MM, Hehre WJ. Structure of the Tebbe reagent. An intramolecular complex? Organometallics. 2: 457-459. DOI: 10.1021/Om00075A019  0.589
1983 Francl MM, Pietro WJ, Hout RF, Hehre WJ. Hyperconjugation and the structures of metal carbenes Organometallics. 2: 281-286. DOI: 10.1021/Om00074A013  0.697
1982 Francl MM, Pietro WJ, Hehre WJ, Binkley JS, Gordon MS, DeFrees DJ, Pople JA. Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements The Journal of Chemical Physics. 77: 3654-3665. DOI: 10.1063/1.444267  0.704
1982 Pietro WJ, Francl MM, Hehre WJ, DeFrees DJ, Pople JA, Binkley JS. Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements Journal of the American Chemical Society. 104: 5039-5048. DOI: 10.1021/JA00383A007  0.455
1982 Pietro WJ, Francl MM, Hehre WJ, Defrees DJ, Pople JA, Binkley JS. Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements Journal of the American Chemical Society. 104: 5039-5048. DOI: 10.1002/Chin.198251072  0.709
1982 PIETRO WJ, FRANCL MM, HEHRE WJ, DEFREES DJ, POPLE JA, BINKLEY JS. ChemInform Abstract: SELF-CONSISTENT MOLECULAR ORBITAL METHODS. 24. SUPPLEMENTED SMALL SPLIT-VALENCE BASIS SETS FOR SECOND-ROW ELEMENTS Chemischer Informationsdienst. 13. DOI: 10.1002/chin.198251072  0.459
1982 Francl MM, Pietro WJ, Hehre WJ, Binkley JS, Gordon MS, DeFrees DJ, Pople JA. Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements The Journal of Chemical Physics. 77: 3654-3665.  0.681
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