1964 - 1969 |
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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. |
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2. |
Vinyltriphenylphosphonium
Bromide, E. E. Schweizer and R. D. Bach, Org.
Synthesis, 1968, 48, 129. |
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3. |
The Synthesis of Tertiary Amines by
the Leuckart Reaction, R. D. Bach, J. Org. Chem.,
1968, 33, 1647. |
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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. |
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5. |
trans-Cyclooctene,
A. C. Cope and R. D. Bach, Org. Synthesis, 1969, 49, 39. |
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6. |
The Addition of Water and Alcohols to
Allenes Catalyzed by Mercuric Salts, R. D. Bach,
Tetrahedron Lett., 1968,
5841. |
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7. |
The Stereospecificity
of the Alkoxymercuration of Allenes,
R. D. Bach, J. Am. Chem. Soc., 1969, 91, 1771. |
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1970 |
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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. |
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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. |
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10. |
Optical Activity of trans-Cyclooctene,
R. D. Bach, J. Chem. Phys., 1970, 52 6423. |
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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. |
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13. |
The cis-Alkoxymercuration of
Strained Olefins, R. D. Bach and R. F. Richter, Tetrahedron Lett., 1971, 2915. |
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14. |
Elimination Reactions of Cyclooctylammonium Salts in Liquid Ammonia, R. D. Bach
and D. Andrzejewski, J. Am. Chem. Soc., 1971, 93,
7118. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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1994 |
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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. |
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114. |
A Model for Adhesion-Producing
Interactions of Zinc Oxide Surfaces with Alcohols, Amines and Alkenes, R. D.
Bach, J. L. Andrés, J. E. Winter, H. B.
Schlegel, J. C. Ball and J. W. Holubka, J. Adhesion
Sci. Technol. 1994, 8, 249. |
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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. |
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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. |
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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. |
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118. |
Synthesis of (+/-)-Fredericamycin A, J. A. Wendt, P. J. Gauverau
and R. D. Bach, J. Am. Chem. Soc. 1994, 116, 9921. |
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1995 |
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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. |
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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. |
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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. |
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1996 - 1997 |
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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. |
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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. |
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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. |
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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. |
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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. |
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127. |
Electronic Factors Influencing the Decarboxylation of keto Acids,
R. D. Bach and C. Canepa, J. Org. Chem. 1996, 61,
6346. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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136. |
Methylene-Iodonium
Ylide: an Isomer of Diiodomethane.
M. N. Glukhovtsev; Bach, R. D. Chem. Phys. Lett. 1997,269,145. |
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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. |
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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. |
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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. |
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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. |
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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. |
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1998 |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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1999 - 2002 |
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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. |
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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 |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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 |
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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. |
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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. |
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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. |
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2003 - 2015 |
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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. |
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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. |
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