1964 - 1969

1.

Phosphonium Salts II. 2-Bromophenetole and Triphenyl-phosphorous as Novel Phosphonioethylation Precursors, E. E. Schweizer and R. D. Bach, J. Org. Chem., 1964, 29, 1746; see also, Reaction Gives Heterocyclics, Carbocyclics, C. and E. News, July 13, 1964, p. 68.

2.

Vinyltriphenylphosphonium Bromide, E. E. Schweizer and R. D. Bach, Org. Synthesis, 1968, 48, 129. 

3.

The Synthesis of Tertiary Amines by the Leuckart Reaction, R. D. Bach, J. Org. Chem., 1968, 33, 1647. 

4.

The Dimerization of Racemic and Optically Active l,2-Cyclo-nonadiene, W. R. Moore, R. D. Bach and T. Ozretich, J. Am. Chem.Soc., 1969, 91, 5918. 

5.

trans-Cyclooctene, A. C. Cope and R. D. Bach, Org. Synthesis, 1969, 49, 39. 

6.

The Addition of Water and Alcohols to Allenes Catalyzed by Mercuric Salts, R. D. Bach, Tetrahedron Lett., 1968, 5841. 

7.

The Stereospecificity of the Alkoxymercuration of Allenes, R. D. Bach, J. Am. Chem. Soc., 1969, 91, 1771. 

1970

8.

Molecular Asymmetry. IX. The Partial Resolution and Asymmetric Synthesis of 1,2-Cyclononadiene, A. C. Cope, W. R. Moore, R. D. Bach and H. J. S. Winkler, J. Am. Chem. Soc., 1970, 92, 1243. 

9.

A Molecular Orbital Approach to the Mechanism of Electrophilic Addition to Olefins, R. D. Bach and H. F. Henneike, J. Am. Chem. Soc., 1970, 92, 5589. 

10.

Optical Activity of trans-Cyclooctene, R. D. Bach, J. Chem. Phys., 1970, 52 6423. 

1971

11.

The Mercuration-Demercuration of Enamines; A Tertiary Amine Synthesis, R. D. Bach and D. K. Mitra, Chem. Commun., 1971, 1433. 

12.

Mechanisms of Transoxymercuration Reactions, R. D. Bach, R. N. Brummel and R. F. Richter, Tetrahedron Lett., 1971, 2879. 

13.

The cis-Alkoxymercuration of Strained Olefins, R. D. Bach and R. F. Richter, Tetrahedron Lett., 1971, 2915. 

14.

Elimination Reactions of Cyclooctylammonium Salts in Liquid Ammonia, R. D. Bach and D. Andrzejewski, J. Am. Chem. Soc., 1971, 93, 7118. 

15.

The Absolute Configuration of 1,2-Cyclononadiene and cis-3- Acetoxycyclononene, R. D. Bach, U. Mazur, R. N. Brummel and L. H. Lin, J. Am. Chem. Soc., 1971, 93, 7120. 

1972

16.

The Formation of Optically Active 1,2-Cyclononadiene from Two Different Cyclopropylidene Precursors, W. R. Moore and R. D. Bach, J. Am. Chem. Soc. 1972, 94, 3148. 

17.

Conjugation Effects in the Acid Cleavage of Allyl Mercuric Halides, R. D. Bach and P. A. Scherr, J. Am. Chem. Soc., 1972, 94, 220. 

18.

The Stereochemistry of trans-Cyclooctene Derivatives, R. D. Bach, U. Mazur, I. Hamama and S. K. Lauderback, Tetrahedron, 1972, 28, 1955. 

19.

Configurational Assignment of Oxymercurials by NMR, R. F. Richter, J. C. Philips and R. D. Bach, Tetrahedron Lett., 1972, 4327. 

20.

The Oxymercuration of Bicyclo[2.2.2]octene; Evidence for a Solvated Mercurinium Ion, R. D. Bach and R. F. Richter, J. Am. Chem. Soc., 1972, 94, 47. 

21.

The Observation of a Mercurinium Ion in the Gas Phase by Ion Cyclotron Resonance, R. D. Bach, J. Gauglhofer and L. Kevan, J. Am. Chem. Soc., 1972, 94, 6860. 

22.

The Wittig Modification of the Hofmann Elimination Reaction. Evidence for an Œ', Mechanism, R. D. Bach, K. W. Bair and D. Andrzejewski, J. Am. Chem. Soc., 1972, 94, 8608. 

1973

23.

Planarity of the Carbon Skeleton in Various Alkylated Olefins, M.B. Robin, G. N.Taylor, N. A. Kuebler and R. D. Bach, J. Org. Chem., 1973, 38 1049. 

24.

Calculations on Group IV Allyl Compounds. Evidence for β-π-Conjugation R. D. Bach and P. A. Scherr, Tetrahedron Lett., 1973, 1099. 

25.

The Mechanism of the Cope Elimination, R. D. Bach, D. Andrzejewski and L. R. Dusold, J. Org. Chem., 1973, 38, 1742. 

26.

The Oxymercuration of cis- and trans-di-t-Butylethylene. Evidence for a -Bridged Intermediate, R. D. Bach and R. F. Richter, J. Org. Chem., 1973, 38 3442. 

27.

Experimental and Theoretical Evidence for Nonplanar Carbonium Ions. The Secondary Cyclopropylcarbinyl System, R. D. Bach, J. H. Siefert, T. Tribble, R. A. Greengard and N. A. LeBel, J. Am. Chem. Soc., 1973, 95, 8182. 

28.

The Origin of the Reactivity of Alkenes in the Oxymercuration Reaction, R. D. Bach and R. F. Richter, Tetrahedron Lett., 1973, 4099. 

1974

29.

The Addition of Alkyllithium Reagents to trans-Cyclooctene. The Facile Elimination of Lithium Hydride in the Cyclooctyl Ring, R. D. Bach, K. W. Bair and C. L. Willis, J. Organometal. Chem., 1974,77, 31. 

30.

Nonplanar Cyclopropylcarbinyl Cations. Theoretical Treatment, R. Bach, Jerusalem Symp. Quantum Chem. Biochem., 1974, 6, 319 (1974). 

31.

The Reversibility of Nitrogen Ylide Formation with Quaternary Ammonium Salts, R. D. Bach, K. W. Bair and D. Andrzejewski, Chem. Commun., 1974, 819. 

32.

Nitrogen Ylide Intermediates in Elimination Reactions of Quaternary Ammonium Salts, R. D. Bach, D. Andrzejewski and K. W. Bair, Chem. Commun., 1974, 820. 

33.

The Crystal Structure of Benzyltriphenylmethylthio-mercury, R. D. Bach, A.Weibel, W. Schmonsees and M. D. Glick, Chem. Commun., 1974, 961. 

34.

The Stereochemistry of the Oxythallation of 1,2-Cyclononadiene, R. D. Bach and J. W. Holubka, J. Am. Chem. Soc., 1974, 96, 7814. 

1975

35.

Ion Cyclotron Resonance Studies of Allene Mercurinium Ions, R. D. Bach, J. Patane and L. Kevan, J. Org. Chem., 1975, 40, 257. 

36.

The Mechanism of Alkene Exchange Reactions with Oxymercurials, R. D. Bach and R. N. Brummel, J. Am. Chem. Soc., 1975, 97, 453. 

37.

Extended Huckel Calculations on Benzylmercury Bromide; Evidence for Conjugation, P. A. Scherr, M. D. Glick, J. H. Siefert and R. D. Bach, J. Am. Chem. Soc., 1975, 97, 1782. 

38.

Exchange Reactions of Methylmercury Mercaptides, R. D. Bach and A. T. Weibel, J. Am. Chem. Soc., 1975, 97, 2575. 

39.

Kinetic Investigation of the Reaction of 2-Bromooctane with Silver Perchlorate; A Second-Order Dependence in Silver Ion, R. D. Bach and C. L. Willis, J. Am. Chem. Soc., 1975 97, 3844. 

40.

The Reaction of (+)-1,3-Dimethylallene with Lead Tetraacetate, R. D. Bach, R. N. Brummel and J. W. Holubka, J. Org. Chem., 1975, 40, 2559. 

41.

Rearrangement of Optically Active Ethyl (E)-3-methyl-3-phenylglycidate. Evidence for Concerted Carbethoxy Migration, J. M. Domagala, J. Wemple and R. D. Bach, J. Am. Chem. Soc., 1976, 98, 1975. 

1976 - 1978

42.

The Gas Phase Reactivity of Alkenes Toward Methylmercury Cation, R. D. Bach, A. T. Weibel, J. Patane and L. Kevan, J. Am. Chem. Soc., 1976, 98, 6237. 

43.

NMR Studies on Anion Exchange Reactions of Alkylmercury Mercaptides, R. D.Bach and A. T. Weibel, J. Am. Chem. Soc., 1976, 98, 6241. 

44.

A Theoretical Investigation of the Structures and Energies of C3H5O+ Isomers, R. D. Bach and J. M. Domagala, Tetrahedron Lett., 1976, 4025. 

45.

MO Studies on Reacative Intermediates, R. D. Bach, C. L. Willis and J. M. Domagala, Progress in Theoretical Organic Chemistry, Vol. II, p. 221, I. G. Cisizmadia, Ed., Elsevier Scientific Publishing Co., New York, 1977. 

46.

Lewis Acid Catalyzed Acyl Migration with Optically Active (Z)-and (E)-1,3-Diphenyl-2-buten-1-one Oxide. Evidence for a Concerted Pathway, J. M. Domagala and R. D. Bach, J. Am. Chem. Soc., 1978, 100, 1605. 

1979

47.

Theoretical Evidence for Nonplanar Cyclopropylcarbinyl Cations. The Effect of Orbital Distortion on Endo and Exo Solvolytic Product Ratios, R. D. Bach and P. E. Blanchette, J. Am. Chem. Soc., 1979, 101, 46. 

48.

Reaction of Optically Active exo- and endo-2-Bromonorbornane with NitroniumTetrafluoroborate in Acetonitrile. Evidence for a Carbenium Ion Pathway, R. D. Bach, J. W. Holubka and T. H. Taaffee, J. Org. Chem., 1979, 44, 35. 

49.

A Theoretical Investigation of the Rotational Barrier of Peroxyformic Acid, R. D. Bach, C. L. Willis and T. J. Lang, Tetrahedron, 1979, 35, 1239. 

50.

The Reaction of Alkyl Halides and Alkyl Methyl Ethers with Nitronium Tetrafluoroborate in Acetonitrile, R. D. Bach, J. W. Holubka and T. H. Taaffee, J. Org. Chem., 1979, 44, 1739. 

51.

The Absolute Configuration of (-)-Ethyl -Formyl--Methylphenyl acetate and (-)-1,2-Diphenyl-2-Methyl-1,3-propanedione, J. M. Domagala and R. D. Bach, J. Org.Chem., 44, 1979, 2429. 

52.

Epoxidation of Alkenes with O-Ethylmonoperoxycarbonic Acid in an Alkaline Biphasic Solvent System, R. D. Bach, M. W. Klein, R. A. Ryntz and J. W. Holubka, J. Org. Chem., 1979, 44, 2569. 

53.

Theoretical Studies on E2 Elimination Reactions. Evidence that Syn Elimination is Accompanied by Inversion of Configuration at the Carbanionic Center, R. D. Bach, R. C. Badger and T. J. Lang, J. Am. Chem. Soc., 1979, 101, 2845

54.

Kinetics of Disulfide Cleavage by Methylmercury. Evidence for a Concomitant Electrophilic and Nucleophilic Mechanism, R. D. Bach and S. J. Rajan, J. Am. Chem. Soc., 1979, 101, 3112. 

55.

Silver Catalyzed 1,2-Acyl Migration in an Optically Active Chlorohydrin. Evidence for Neighboring Group Participation by Carbonyl Carbon, J. M. Domagala and R. D. Bach, J. Am. Chem. Soc., 1979, 101, 3118. 

56.

The Mechanism of the Oxidation of Alkanes with Nitronium Tetrafluoroborate in Acetonitrile. Evidence for a Carbenium Ion Intermediate, R. D. Bach, J. W. Holubka, R. C. Badger and S. J. Rajan, J. Am. Chem. Soc., 1979, 101, 4416. 

57.

The Stereochemistry of Concerted 1,2-Vinyl Migration, R. D. Bach and D. H. Lucast, J. Chem. Soc., Chem. Commun., 1979, 593. 

58.

A Convenient Preparation of 1,3,5,7-Tetrachloroadamantane, R. D. Bach and R. C. Badger, Synthesis, 1979, 7, 529. 

59.

Elimination Reactions in Dimethyl Sulfoxide Solution. The Effective Base with Potassium tert-Butoxide, R. D. Bach and J. W. Knight, Tetrahedron Lett., 1979, 3815. 

60.

Synthesis and Stereochemistry of Ethyl (E)-3-Methyl-3-phenylglycidate and (E)- and (Z)-1,3-Diphenyl-3-Methyl-2-buten-1-one Oxide, J. M. Domagala and R. D. Bach, J. Org. Chem., 1979, 44, 3168. 

1980

61.

Reactions of Nitrosonium Tetrafluoroborate in Acetonitrile with Organic Molecules Containing Nonbonding Electrons. A Synthesis of Acetamides, R. D. Bach, T. H. Taaffee and S. J. Rajan, J. Org. Chem., 1980, 45, 165. 

62.

Reaction of Saturated Organic Compounds with Acetyl and Trifluoroacetyl Nitrate, R. D. Bach, T. H. Taaffee and J. W. Holubka, J. Org. Chem., 1980, 45, 3439. 

63.

Kinetic Study of the Interaction of Methylmercury with the Fe2S2(SR)4 Cluster of Adrenodoxin, S. Arakawa, R. D. Bach and T. Kimura, J. Am. Chem. Soc. 1980, 102, 6847. 

64.

A Theoretical Investigation of the Structure and Rotational Barriers of Peroxyformimidic Acid. The Mechanism of Stereomutation at the Carbon-Nitrogen Double Bond, T. J. Lang, G. J. Wolber and R. D. Bach, J. Am. Chem. Soc. 1981, 103, 3275. 

1981

65.

Epoxidation of Olefins by Hydrogen Peroxide-Acetonitrile: cis-oxa-bicyclo[6.1.0]nonane, R. D. Bach and J. W. Knight, Organic Synthesis 1981, 60 63 

66.

1H NMR Rate Constants and Mercury-199 FT NMR Equilibrium Constants Involved in Disulfide Cleavage by Methylmercury, R. D. Bach, S. J. Rajan, H. B. Vardhan and T. J. Lang, N. G. Albrecht, J. Am. Chem. Soc. 1981, 103, 772. 

1982

67.

A Theoretical Study of the Barrier to Nitrogen Inversion in N-Cyano-and N-Diazoformimine. The Mechanism of the Schmidt Reaction, R. D. Bach and G. J. Wolber, J. Org. Chem. 1982, 47, 239. 

68.

A Theoretical Analysis of the Barrier to Nitrogen Inversion in N-Fluoroformimine and Formaldoxime, R. D. Bach and G. J. Wolber, J. Org. Chem. 1982, 47, 245. 

69.

The Stereospecificity of the Oxymetallation of Optically Active 1,2-Cyclononadiene, R. D. Bach, J. W. Holubka and C. L. Willis, J. Am. Chem. Soc. 1982, 104, 3980. 

70.

The Stereochemistry of the Acetoxymercuration of Alkynes, R. D. Bach, R. A. Woodard, T. J. Anderson and M. D. Glick, J. Org. Chem. 1982, 47, 3707. 

1983

71.

Epoxidation of Alkenes with Trichloroacetonitrile Hydrogen Peroxide in a Neutral Biphasic Solvent System., L. A. Arias, S. Adkins, and C. J. Nagel, R. D. Bach, J. Org. Chem. 1983, 48, 888. 

72.

The Stereochemistry of Lithiation of N-Methyl Formamide: A Theoretical Study, R. D. Bach, M. L. Braden, and G. J. Wolber, J. Org. Chem. 1983, 48, l43. 

73.

The Origin of Alkyl Substituent Effects on the Reactivity and Thermodynamic Stability of Alkenes, R. D. Bach, G. J. Wolber, and A. Pross, J. Israel Chem. 1983, 48, 97.

1984

74.

Nucleophilic Substitution at Vinylic Carbon. The Importance of the HOMO-HOMO interaction, R. D. Bach and G. J. Wolber, J. Am. Chem. Soc. 1984 106, 1401. 

75.

The Mechanism of Oxygen Transfer from Oxaziridine to Ethylene: The Consequence of HOMO-HOMO Interactions on Frontier Orbital Narrowing, R. D. Bach and G. J. Wolber, J. Am. Chem. Soc. 1984, 106, 1410. 

76.

The Effect of the Lewis Acid and the Solvent on Concerted 1,2-Acyl Migration, R. D. Bach and J. M. Domagala, J. Org. Chem., 1984, 49, 4181. 

77.

Thermal Rearrangement of (E)-1,3-Diphenyl-2-buten-l-one Oxide. A Concerted 1,2-Carbonyl Migration, R. D. Bach and J. M. Domagala, Chem. Commun., 1984, 1472. 

78.

On the Mechanism of Metal-Catalyzed Epoxidation. A Model for the Bonding in Peroxo-Metal Complexes, R. D. Bach, G. J. Wolber, and B. A. Coddens, J. Am. Chem. Soc., 1984, 106, 6098 

79.

A Theoretical Analysis of the Enhanced Reactivity of Haloketones, R. D. Bach, G. J. Wolber, R. Klix, D. Kost, A. Pross, Nouv J. Chim., 1984, 8, 711. 

1985

80.

The Stereochemistry of the Concerted SN2' Reaction: A Theoretical Study, R. D. Bach, G. J. Wolber, J. Am. Chem. Soc. 1985, 107, 1352 

81.

The Geometric Requirements for Concerted 1,2-Carbonyl Migration in , Epoxy Ketones, R. D. Bach and R. C. Klix, Tetrahedron Lett., 1985, 26, 985. 

82.

A 199Hg FT-NMR and X-ray Structural Study of the Interaction of Me Hg(II) with Pyridines. The Effect of Solvent and Steric Interactions., R. D. Bach, H. B. Vardhan, A. F. M. Rahman, J. P. Oliver, Organometallics, 1985, 4, 846. 

83.

The Origin of the Barriers to Thermally Allowed Six-Electron Pericyclic Reactions. The Effects of HOMO-LUMO Interactions on the Trimerization of Acetylene, R. D. Bach, G. J. Wolber, H. B. Schlegel, J. Am. Chem. Soc., 1985, 107, 2837. 

84.

Concerted 1,2-Carbonyl Migrations in Organic Synthesis. A Practical Synthesis of Spiro Cyclic 1,3-Diones, R. D. Bach and R. C. Klix, J. Org. Chem., 1985, 50, 5438. 

1986

85.

Methylmercury Nitrate and Methylmercury Trifluoroacetate, R. D. Bach and H. B.Vardhan, Inorg. Syn., 1986, 4, 143. 

86.

A 199Hg NMR Study of the Complexation of Methylmercury with Thia-Crown Ethers. The Absence of a Macrocyclic Ligand Effect, R. D. Bach. J. Org. Chem., 1986, 51, 1609. 

87.

A Mercury Mediated Acyl Migration in a Pinacol-Type Rearrangement. Model Studies Toward the Synthesis of Fredricamycin, R. D. Bach and R. C. Klix, J. Org. Chem., 1986, 51, 749. 

88.

The Origin of the Reactivity of Allyl Chloride and Chloroacetaldehyde in SN2 Nucleophilic Substitution Reactions: A Theoretical Comparison, R. D. Bach, B. A. Coddens, G. J. Wolber, J. Org. Chem., 1986, 51, 1030. 

89.

On the Mechanism of Alkyne Forming E2 Elimination Reactions. A Theoretical Study, R. D. Bach, J. C. Evans, J. Am. Chem. Soc., 1986, 108, 1374. 

90.

Model Studies Aimed at the Synthesis of Fredericamycin A. A Simple o-Quinodimethane Route to the Spiro Naphthalene Portion, R. D. Bach and R. C. Klix, Tetrahedron Lett., 1986, 27, 1983 

91.

Lewis Acid Catalyzed Rearrangements of Structurally Related , -Unsaturated Ketones and Oximes, A Complementary Approach to the Synthesis of Isomeric 1,4 -Diketospiro [n,m] Alkenes, R. D. Bach, M. W. Tubergen, R.C. Klix, Tettrahedron Lett., 1986, 27, 3565. 

92.

Chemistry of Oxaziridines 8. Kinetics and Mechanism of the Oxidation of Sulfides and Alkenes by 2 -Sulfonyloxaziridines, F. A. Davis, J. M. Billmers, D. J. Gosciniak, J. C. Towson and R. D. Bach, J. Org. Chem., 1986, 51, 4240. 

1987 - 1989

93.

1.2 -Carbonyl Migrations in Organic Synthesis: An Approach to the Perhydroindanones, R. D. Bach and R. C. Klix, J. Org. Chem., 1987, 52, 580. 

94.

Diels-Alder Approaches to Model Compounds Related to Fredericamycin A, J. C. Evans, R. C. Klix, R. D. Bach, J. Org. Chem. 1988, 53, 5519. 

95.

Electronic Factors Influencing the Activation Barrier of the Diels-Alder Reaction. An Ab Initio Study, R. D. Bach, J. J. W. McDouall, H. B. Schlegel and G. J. Wolber, J. Org. Chem. 1989, 54, 2931. 

1990

96.

The Mechanism of Oxygen Transfer from an Oxaziridine to a Sulfide and a Sulfoxide: A Theoretical Study, R. D. Bach, B. A. Coddens, J. J. W. McDouall, H. B. Schlegel, and F. A. Davis, J. Org. Chem., 1990, 55, 3325. 

97.

The Potential for Water Catalysis in Flavin Mediated Hydroxylation. A Theoretical Study, R. D. Bach, J. J. W. McDouall, A. L. Owensby and H. B. Schlegel, J. Am. Chem. Soc., 1990, 112, 7064. 

98.

A Theoretical Study of Oxygen Atom Transfer, The Role of Electron Correlation, R. D. Bach, J. J. W. McDouall, A. L. Owensby and H. B. Schlegel, J. Am. Chem. Soc., 1990, 112, 7065. 

1991

99.

Structure and Dynamics of Dicyandiamide. A Theoretical Study, R. D. Bach, J. J. W. McDouall, A. L. Owensby, H. B. Schlegel, J. W. Holubka and J. C. Ball, J. Phys. Org. Chem., 1991, 4, 125. 

100.

The Nature of the Transition Structure for Oxygen Atom Transfer from a Hydroperoxide. A Theoretical Comparison Between Water Oxide and Ammonia, R. D. Bach, A. L. Owensby, C. Gonzalez, H. B. Schlegel and J. J. W. McDouall, J. Am. Chem. Soc., 1991, 113, 6001. 

101.

The Transition Structure for the Epoxidation of Alkenes with Peroxy Acids. A Theoretical Study, R. D. Bach, A. L. Owensby, C. Gonzalez, and H. B. Schlegel, J. Am. Chem. Soc., 1991, 113, 2338. 

102.

A General Method for Determining Kinetic Isotope Effects that Utilizes Isotopically Engendered Chirality, R. D. Bach, R. W. Knight, M. L. Braden, J. Am. Chem. Soc., 1991, 113, 4712. 

103.

The Relative Oxygen Donor Potential of Dioxirane and Carbonyl Oxide. A Theoretical Study, R. D. Bach, A. Owensby, J. L. Andrés and H. B. Schlegel, J. Am. Chem. Soc., 1991, 113, 7031. 

104.

Primary and Secondary Kinetic Isotope Effects in the Cope and Hofmann Elimination Reactions, R. D. Bach and M. L. Braden, J. Org. Chem., 1991, 56, 7194. 

1992

105.

Mechanisms of Oxygen Atom Transfer from Oxiridine to a Lithium Enolate. A Theoretical Study, R. D. Bach, J. L. Andres and F. A. Davis, J. Org. Chem., 1992, 57, 613. 

106.

A Theoretical Study of the Reactions of Ethylene Oxide and Ammonia. A Model Study of the Epoxy Adhesive Curing Mechanism, J. W. Holubka, R. D. Bach and J. L. AndrŽs, Macromolecules, 1992, 25, 1189. 

107.

The Electronic Structure and Reactivity of Dioxirane and Carbonyl Oxide, R. D. Bach, J. L. Andrés, A. L. Owensby and H. B. Schlegel, J. Am. Chem. Soc., 1992, 114, 7207. 

108.

Comparison of the Mechanisms of the Bromination and Oxymercuration Reactions of Alkenes, H. B. Vardhan and R. D. Bach, J. Org. Chem., 1992, 57, 4948. 

1993

109.

A Theoretical Model for Electrophilic Oxygen Atom Insertion into Hydrocarbons, R. D. Bach, A. L. Owensby, J. L. AndrŽs, M. -D. Su and J. J. W. McDouall, J. Am. Chem. Soc., 1993, 115, 5768. 

110.

Structure and Reactivity of Diamidoiron (III) Hydroperoxide. The Mechanism of Oxygen Atom Transfer to Ammonia, R. D. Bach, J. L. Andreacute, M. -D.Su and H. B. Schlegel, J. Am. Chem. Soc. 1993, 115, 8763. 

111.

Torsional Barriers in Œ-Ketoamides. Model Studies Related to the Binding Site of FK506, R. D. Bach, I. Mintcheva, W. J. Kronenberg and H. B. Schlegel, J. Org. Chem. 1993, 58, 6135. 

112.

A Theoretical Model for the Orientation of Carbene Insertion into Saturated Hydrocarbon and the Origin of the Activation Barrier, R. D. Bach, M. -D. Su, E. Aldabbagh, J. L. Andreacute, and H. B. Schlegel, J. Am. Chem. Soc. 1993, 115, 10237. 

1994

113.

A Model for the Free Radical and Electrophilc Hydroxylation of Bicyclo[2.1.0]-pentane, R. D. Bach, H. B. Schlegel and J. L. Andrés, J. Am. Chem. Soc. 1994, 116, 3475. 

114.

A Model for Adhesion-Producing Interactions of Zinc Oxide Surfaces with Alcohols, Amines and Alkenes, R. D. Bach, J. L. Andr&eacutes, J. E. Winter, H. B. Schlegel, J. C. Ball and J. W. Holubka, J. Adhesion Sci. Technol. 1994, 8, 249. 

115.

Inductive versus Coulombic Effects on the Barrier to Oxygen Atom Transfer from Alkyl Hydroperoxides. Model Studies on 4Œ-flavin Hydroperoxide, R. D. Bach and M. -D. Su, J. Am. Chem. Soc. 1994, 116, 5392. 

116.

Oxidation of Amines and Sulfides with Hydrogen Peroxide and Alkyl Hydrogen Peroxide. The Nature of the Oxygen Transfer Step, R. D. Bach, M. -D. Su and H. B. Schlegel, J. Am. Chem. Soc. 1994, 116, 5379. 

117.

The Transition State for the Hydroxylation of Saturated Hydrocarbons with Hydroperoxonium Ion, R. D. Bach and M. -D. Su, J. Am. Chem. Soc. 1994, 116, 10103. 

118.

Synthesis of (+/-)-Fredericamycin A, J. A. Wendt, P. J. Gauverau and R. D. Bach, J. Am. Chem. Soc. 1994, 116, 9921. 

1995

119.

Relative Nucleophilicity: The Role of Solvation and Thermodynamics, R. D. Bach, J. J. W. McDouall and J. E. Winter, J. Am. Chem. Soc. 1995, 117, 8586. 

120.

Kinetic Isotope Effects as a Guide to Transition State Geometries for the Intramolecular Cope and Ylide Elimination Reactions. An Ab Initio MO Study, R. D. Bach, C. Gonzalez, J. L. AndrŽs and H. B. Schlegel, J. Org. Chem. 1995, 60, 4653. 

121.

A Theoretical Model for an Alternate Mechanism for the Cytochrome P-450 Hydroxylation of Quadricyclane, R. D. Bach, I. Mintcheva, C. M. EstŽvez and H. B. Schlegel, J. Am. Chem. Soc. 1995, 117, 10121. 

1996 - 1997

122.

Catalytic Extraction Processing: An Elemental Recycling Technology, C. J. Nagel, P. A. Sekula-Moise, C. A. Chanenchuk, E. W. Wong and R. D. Bach, J. Envir. Sci. and Tech. 1996, 30, 2155. 

123.

Thermochemistry of Iron Chlorides and Their Positive and Negative Ions. R. D. Bach, D. S. Shobe, H. B. Schlegel and C. J. Nagel, J. Phys. Chem. 1996, 100, 8770. 

124.

Computational Study on Thermochemistry of C5H5+ Isomers: Which C5H5+ Isomer is the Most Stable?, M. N. Glukhovtsev, R. D. Bach and S. Laiter, J. Phys. Chem. 1996, 100, 10952. 

125.

The Performance of the B3-LYP DFT Calculations for the SN2 Reactions at Saturated Carbon and a Comparison with G2(+) and MPn Calculations, M. N. Glukhovtsev, R. D. Bach, A. Pross and L. Radom, Chem. Phys. Lett., 1996, 160, 558. 

126.

A High Level Computational Study on the Thermochemistry of Saturated and Unsaturated Three- and Four-Membered Nitrogen and Phosphorus Rings, M. N. Glukhovtsev, R. D. Bach and S. Laiter, Intern. J. Quantum Chem., 1997, 62, 373. 

127.

Electronic Factors Influencing the Decarboxylation of keto Acids, R. D. Bach and C. Canepa, J. Org. Chem. 1996, 61, 6346. 

128.

The Energetics of Valence Isomerization in the Norbornadiene-Quadricyclane System, R. D. Bach, I. L. Schilke and H. B. Schlegel, J. Org. Chem. 1996, 61, 4845. 

129.

A Reassessment of the Bond Dissociation Energies of Peroxides, R. D. Bach, P. Y. Ayala and H. B. Schlegel, J. Am. Chem. Soc. 1996, 118, 12758. 

130.

Gas-Phase Identity SN2 Reactions of Halide Anions and Methyl Halides with Retention of Configuration, M. N. Glukhovtsev, A. Pross, H. B. Schlegel, L. Radom and R. D. Bach, J. Am. Chem. Soc., 1996, 118, 11258. 

131.

The Performance of the B3LYP/ECP DFT Calculations of Iron-Containing Compounds, M. N. Glukhovtsev, R. D. Bach and C. J. Nagel, J. Phys. Chem., 1997, 101, 316. 

132.

Ab Initio Thermochemistry of Diphosphine (P2H4) and Diphosphine Radical Cation (P2H4+), M. N. Glukhovtsev and R. D. Bach, Chem. Phys. Lett., 1997, 265, 514. 

133.

The Nature of the Transition Structure for the Epoxidation of the Carbon-Carbon Double Bond with Peroxyformic Acid, R. D. Bach, M. N. Glukhovtsev, C. Gonzalez, C. M. EstŽvez, A. G. Baboul and H. B. Schlegel, J. Phys. Chem. A, 1997, 101, 6092. 

134.

The Mechanism of Acid Catalysed Epoxidation of Alkenes with Peroxyacids, R. D. Bach, C. Canepa, J. E. Winter and P. E. Blanchette, J. Org. Chem. 1997, 62, 5191. 

135.

Density Functional Theory Description of Excited-State Intramolecular Proton Transfer, K. C. Hass, W. F. Schneider, C. M. EstŽvez and R. D. Bach, Chem. Phys. Lett. 1996, 263, 414. 

136.

Methylene-Iodonium Ylide: an Isomer of Diiodomethane. M. N. Glukhovtsev; Bach, R. D. Chem. Phys. Lett. 1997,269,145. 

137.

Single-Step and Multistep Mechanisms of Aromatic Nucleophilic Substitution of Halobenzenes and Halonitrobenzenes with Halide Anions: Ab Initio Computational Study. M. N. Glukhovtsev, Bach, R. D.; Laiter, S.J. Org. Chem. 1997, 62, 4036. 

138.

Novel Structural Modifications Associated with the Highly Efficient Internal Conversion of 2-(2'-Hydroxyphenyl)benzotriazole Ultraviolet Stabilizers. C. M. Estvez, R. D. Bach, K. C. Hass and W. F. Schneider, J. Am. Chem. Soc. 1997, 119, 5445. 

139.

A high Level Computational Study on the Thermochemistry of Vinyl and Formyl Halides: Heats of Formation, Dissociation Energies, and Stabilization Energies. M. N. Glukhovtsev; Bach, R. D. J. Phys. Chem. 1997, 101, 3574. 

140. 

Isodesmic and Homodesmotic Stabilization Energies of [n]Annulenes and Their Relevance to Aromaticity and Antiaromaticity: Is Absolute Antiaromaticity Possible? M. N. Glukhovtsev, R. D. Bach, and S. Laiter, J. Mol. Struct. (Theochem) 1997, 417, 123. 

141.

A Theoretical Model for Pyruvoyl-Dependent Enzymatic Decarboxylation of a-amino Acids, R. D. Bach and C. Canepa, J. Am. Chem. Soc. 1997, 119, 11725.

1998

142.

The Oxidation of Alkenes, Sulfides, Amines, and Phosphines with Peroxynitrous Acid: A Comparison with Other Oxidants such as Peroxyformic Acid and Dimethyldioxirane. Bach, R. D., Glukhovtsev, M. N. and Canepa, C. J. Am. Chem. Soc. 1998, 120, 775.

143.

On the Origin of Substrate Directing Effects in the Epoxidation of Allyl Alcohol with Peroxyformic Acid, R. D. Bach, J. E. Winter and C. M. EstŽvez, J. Am. Chem. Soc. 1998, 120, 680. 

144.

Ab initio Study on the Thermochemistry of Vinyl Radical and Vinyl Cation. M. N. Glukhovtsev and R. D. Bach, Chem. Phys. Lett., 1998, 286, 51.

145.

Computational Study on the Nature of the Transition State for Oxygen Transfer from Dioxirane and Carbonyl Oxide. A. G. Baboul, H. B. Schlegel, M. N. Glukhovtsev and R. D. Bach, J. Comput. Chem., 1998, 19, 1353.

146.

The Thermochemistry of Destruction of Sulfur Mustard: A High Level Computational Study. M. N. Glukhovtsev, R. D. Bach and C. J. Nagel, J. Phys. Chem. A, 1998, 102, 3438.

147.

A High Level Computational Study of the Stereoelectronic Effects of Substituents on Alkene Epoxidations witrh Peroxyformic Acid. R. D. Bach, M. N. Glukhovtsev, and C. Gonzalez J. Am. Chem. Soc., 1998, 120, 9902.

148.

The Nature of the Transition Structure For the Oxidation of Hydrocarbons with Dioxiranes. M. N. Glukhovtsev, C. Canepa, R. D. Bach, J. Am. Chem. Soc., 1998, 120, 10528.

1999 - 2002

149.

The Influence of Electrostatic Effects upon Activation Barriers in Enzymatic Reactions. Pyridoxal 5'-Phosphate Decarboxylation of Amino Acids. R. D. Bach, C. Canepa and M. N. Glukhovtsev. J. Am. Chem. Soc., 1999,121, 6542.

150.

The nature of the transition structures for oxygen atom transfer from peroxy acids, dioxiranes and chiral bis(silyl) peroxides. Bach, Robert D. Editor(s): Adam, Waldemar. In: Peroxide Chemistry, 2000, 569-600. Publisher: Wiley-VCH Verlag GmbH, Weinheim, Germany

151.

A Computational Study of the Hydroxy-Group Directivity in the Peroxyformic Acid Epoxidation of the Chiral Allylic Alcohol (Z)-3-Methyl-3-penten-2-ol: Control of Threo Diastereoselectivity through Allylic Strain and Hydrogen Bonding.W. Adam, R. D. Bach, O. Dmitrenko, and C. R. Saha-Moller. J. Org. Chem. 2000; 65(20); 6715.

152.

Reactivity of Alkyl versus Silyl Peroxides. The Consequences of 1,2-Silicon Bridging on the Epoxidation of Alkenes with Silyl Hydroperoxides and Bis(trialkylsilyl)peroxides. C. M. Estevez, O. Dmitrenko, J. E. Winter, and R. D. Bach, J. Org. Chem. 2000; 65(25); 8629.

153.

The Triplet Potential Energy Surface of s-trans-2,4-Hexadiene. A Comparison of Theory and Experiment, Jack Saltiel, Olga Dmitrenko, Wolfgang Reischl, and Robert D. Bach The J. Phys. Chem., A; 2001; 105(15); 3934.

154.

A Theoretical Study of the Effect of a Tetraalkylammonium Counterion on the Hydrogen Bond Strength in Z-Hydrogen Maleate, Robert D. Bach, Olga Dmitrenko, and Mikhail N. Glukhovtsev, J. Am. Chem. Soc., 2001; 123(29); 7134.

155.

Inversion versus Retention of Configuration for Nucleophilic Substitution at Vinylic Carbon, Robert D. Bach, Anwar G. Baboul, and H. Bernhard Schlegel, J. Am. Chem. Soc. 2001; 123(24); 5787.

156.

The Effect of Substitutents on the Strain Energies of Small Ring Compounds, Bach, R. D.; Dmitrenko, O. J. Org. Chem. 2002, 67(8), 2588-2599.

157.

C-HáááCarboxylate Oxygen Hydrogen Bonding in Substrate Activation by the Acyl-CoA Dehydrogenases: Synergy between the H-bonds, R.D.Bach,, C.Thorpe, O.Dmitrenko, J.Phys.Chem.A. 2002, 106, 4325-4335.

158.

The Effect of Geminal Substitution on the Strain Energy of Dioxiranes. The Origin of the Low Ring Strain of Dimethyldioxirane. Bach, R.D. ; Dmitrenko, O.  J. Org. Chem. 2002, 67(11), 3884-3896

159.

A Rate Expression for Enzymatic Reactions. The Dynamical Relation Between Coupled Oscillators at the Active Site and the Rate Enhancement of Enzyme-Catalysed Processes. Canepa, C.; Bach, R., D.  Phys. Chem. Chem. Phys.  2001, 3(18),  4072-4081.

160.

Neutral versus Charged Species in Enzymatic Catalysis Classical and Free Energy Barriers for Oxygen Atom Transfer from C4a-hydroperoxyflavin to Dimethyl Sulfide. Canepa, C.; Dmitrenko, O.; Bach , R. D.  J.Org.Chem  2002, 67, 8653-8661.

161.

A Theoretical Study of the Chorismate Synthase Reaction, Dmitrenko, O.; Wood, Jr., H. B. ; Bach, R. D. ; Ganem B.  Organic Letters 2001, 3(26), 4137-4140.

 

2003 - 2015

 

 

 

 

 

162.

The Relative Reactivity of Peracids versus Dioxiranes (DMDO and TFDO) in the Epoxidation of Alkenes. A Combined Experimental and Theoretical Analysis. Bach, R. D. ; Dmitrenko, O. ; Adam, W. ; Schambony, S.   J.Am.Chem.Soc. 2003, 125, 924-934.

163.

Spiro versus Planar Transition Structures in the Epoxidation of Simple Alkenes.  A Reassessment of the Level of Theory Required. R.D. Bach, O. Dmitrenko J. Phys.Chem.A. 2003, 107(21), 4300-4306.

164.

Computational Insight into the Effect of C(19) Substituents on [1,7]-Hydrogen Shift in Previtamin D. O. Dmitrenko, W. Reischl, R. Sicinski, R.D. Bach  Theor.Chem.Acc. 2003, 109 (4), 170-175.

165.

Electronic Requirements for Oxygen Atom Transfer from Alkyl Hydroperoxides. Model Studies on Multisubstrate Flavin-containing Monooxygenases. R.D. Bach, O. Dmitrenko J.Phys.Chem.B. 2003, 107(46), 12851-12861.

166.

Effect of a Charge-Transfer Interaction on the Catalytic Activity of Acyl-CoA Dehydrogenase: A Theoretical Study of the Role of Oxidized Flavin. Dmitrenko, O; Thorpe, C;  Bach, R.D. J.Phys.Chem.B. 2003, 107(47), 13229-13236.

167.

Theoretical Analysis of Peroxynitrous Acid. Characterization of its Elusive Biradicaloid (HOáááONO) Singlet States. R.D. Bach, O. Dmitrenko, C. M. EstŽvez J.Am.Chem.Soc (Communication) 2003, 125(52), 16204-16205.

168.

Model Studies on p-Hydroxybenzoate Hydroxylase. The Catalytic Role of Arg-214 and Tyr-201 in the Hydroxylation Step. R.D. Bach, O. Dmitrenko J.Am.Chem.Soc. 2004, 126(1), 127-142.

169.

Strain Energy of Small Ring Hydrocarbons. Influence of C-H Bond Dissociation Energies  Bach, R. D.; Dmitrenko, O.;  J. Am. Chem. Soc., 2004, 126(13), 4444-4452.

170.

Computational Studies of Nucleophilic Substitution at Carbonyl Carbon: the SN2 Mechanism versus the Tetrahedral Intermediate in Organic Synthesis. Fox, J.M.; Olga Dmitrenko, O.; Liao, L.; Bach, R.D. J.Org.Chem. 2004, 69(21), 7317-7328.

171.

TD-DFT Computational Insight into the Origin of Wavelength-Dependent E/Z Photoisomerization of Urocanic Acid. Dmitrenko, O.; Reischl, W.; Bach, R. D.; Spanget-Larsen, J.; J. Phys. Chem. A., 2004, 108(26), 5662-5669.

172.

A Reactivity/Affinity Switch for Parallel Kinetic Resolution: -Amino Acid Quasienantiomers and the Resolution of Cyclopropene Carboxylic Acids. Liao, L.-a.; Zhang, F.; Dmitrenko, O.; Bach, R. D.; Fox, J. M.; J. Am. Chem. Soc.; (Communication); 2004, 126(14), 4490-4491.

173

Reassessment of the Level of Theory Required for the Epoxidation of Ethylene with Dioxiranes. Dmitrenko, O.; Bach, R. D.J. Phys. Chem. A., 2004, 108(33), 6886-6892.

174

Chemical Reactivity of the Biradicaloid (HO...ONO) Singlet States of Peroxynitrous Acid.  The Oxidation of Hydrocarbons, Sulfides, and Selenides. Bach, R. D.Dmitrenko, O.; EstŽvez, C. M.  J. Am. Chem. Soc. 2005, 127, 3140-3155.

175

The "Somersault" Mechanism for the P-450 Hydroxylation of Hydrocarbons. The Intervention of Transient Inverted Metastable Hydroperoxides. Bach, R. D.; Dmitrenko, O. J. Am. Chem. Soc. 2006, 128(5), 1474-1488.

176

The Effect of Carbonyl Substitution on the Strain Energy of Small Ring Compounds and their Six-member Ring Reference Compounds Bach, R. D.Dmitrenko, O. J. Am. Chem. Soc. 2006, 128(14), 4598-4611

 177

 Mechanism of SN2 Disulfide Bond Cleavage by Phosphorus Nucleophiles. Implications for Biochemical Disulfide Reducing Agents. Dmitrenko, O.; Thorpe, C.; Bach, R. D. J. Org. Chem.  2007, 72(22),  8298-8307.

178

Mechanism of Thiolate-Disulfide Interchange Reactions in Biochemistry. Bach, R. D.; Dmitrenko, O.; Thorpe, C.J. Org. Chem.; (Featured Article). 2008, 73(1), 12-21.

179

The Curtius Rearrangement of Cyclopropyl and Cyclopropenoyl Azides. A Combined Theoretical and Experimental Mechanistic Study. Author(s): Tarwade V, Dmitrenko O, Bach RD, et al.. JOURNAL OF ORGANIC CHEMISTRY   Volume: 73   Issue: 21   Pages: 8189-8197   Published: NOV 7 2008

180

Ring Strain Energy in the Cyclooctyl System. The Effect of Strain Energy on [3+2] Cycloaddition Reactions with Azides. Bach R.D.  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   Volume: 131   Issue: 14   Pages: 5233-5243   Published: APR 15 2009

181

The Rate Limiting Step in P450 Hydroxylation of Hydrocarbons. A Direct Comparison of the ÒConsenusÓ Mechanism Involving Compound I

Bach R.D. Journal of  Physical Chemistry A 2010,114,9319.

182

Transient Inverted Metastable Iron Hydroperoxides in Fenton Chemistry. A Nonenzymatic Model for Cytochrome P450 Hydroxylation.

Bach, R. D.; Dmitrenko, O. .J. Org. Chem. 2010,75,3705.

183

Role of the Somersault Rearrangement in the Oxidation Step for FlavinMoonooxygenases (FMO). A Comparison between FMO and Convential Xenobiotic Oxidation with Hydroperoxides. Bach R. D.

Journal of Physical Chemistry A 2011,115,11087.

184

The Role of Acid Catalysis in the Baeyer−Villiger Reaction. A

Theoretical Study. Bach, R. D. J. Org. Chem. 2012, 77, 6801−6815

185

Mechanistic Aspects Regarding the Elimination of H2O2 from C(4a)-Hydroperoxyflavin. The Role of a Proton Shuttle Required for H2O2 Elimination

Robert D. Bach and Andrea Mattevi J. Org. Chem. 2013, 78, 8585−8593

186

patent US 8,303,916 2012: Gaseous transfer in multiple metal bath reactors

Michael C. Collins, Robert D. Bach

187

Mechanism of N-Hydroxylation Catalyzed by Flavin-Dependant Monooxygenases.

Badieyan, S.; Bach, R. D.; Sobrado, P. J. Org. Chem. 2015, 80, 2139-2147.

188

The DMDO Hydroxylation of Hydrocarbons via the Oxygen Rebound Mechanism.

Bach, R. D. J. Phys. Chem A 2016,120,840-850.

189

Bach, R. D. Structure and Mechanism for Alkane Oxidation and Alkene Epoxidation Epoxidation with Hydroperoxides, alpha-Hydroxy Hydroperoxides, and Peroxyacids: A Theoretical Study.

J. Phys. Chem A 2019,123,9520-9530.

 

Bond Dissociation Energy of Peroxides Revisited. Bach, R. D.; Schlegel, H. B.

J. Phys. Chem A 2020,124,4742-4751.

191

The Bond Dissociation Energy of the N-O Bond. Bach, R. D.; Schlegel. H. B.

J. Phys. Chem A 2021,125,5014-5021.

192

Mechanism of Orbital Interactions in the Sharpless Epoxidation with Ti(IV) Peroxides: A DFT Study. Bach, R. D.; Schlegel, H. B.

J. Phys. Chem A 2021,125,10541-10556.