Steven M. Bachrach

Dr. D. R. Semmes Distinguished Professor of Chemistry, Trinity University

Publications

Articles

1. "Application of an Approximate Double Substitution Coupled Cluster (ACCD) Method to the Potential Energy Curves of CO and NeHe: Higher Order Effects in Chemically and Weakly Bound Molecules," Steven M. Bachrach, Richard A. Chiles, and Clifford E. Dykstra, Journal of Chemical Physics, 1981, 75, 2270.
2. "Electron Density Superposition Errors in Ethynyllithium," Steven M. Bachrach and Andrew Streitwieser, Jr., Journal of the American Chemical Society, 1984,106, 2283.
3. "Structure and Bonding in Dilithiomethane," Steven M. Bachrach and Andrew Streitwieser, Jr., Journal of the American Chemical Society, 1984, 106, 5818.
4. "Ab Initio Study of the Reaction of Silene with Formaldehyde," Steven M. Bachrach and Andrew Streitwieser, Jr., Journal of the American Chemical Society, 1985, 107, 1186.
5. "Electron Density Analysis of the Reaction of Aldehydes with Lithium Hydride: The Importance of the HOMO-HOMO Interaction," Steven M. Bachrach and Andrew Streitwieser, Jr., Journal of the American Chemical Society, 1986, 108, 3946.
6. "The Unusual pKs and Bond Paths in 1,3-Dilithiocyclobutane," Steven M. Bachrach, Journal of the American Chemical Society, 1986, 108, 6406.
7. "Some Methods and Applications of Electron Density Distribution Analysis," James P. Ritchie and Steven M. Bachrach, Journal of Computational Chemistry, 1987, 8, 499.
8. "Bond Paths and Bond Properties in Carbon-Lithium Compounds," James P. Ritchie and Steven M. Bachrach, Journal of the American Chemical Society, 1987, 109, 5909.
9. "Molecular Models for Explosives," James P. Ritchie and Steven M. Bachrach, Journal de Physique, 1987, 48, C4-377
10. "Structural Basis of the Impact Sensitivities of 1-Picryl-1,2,3-Triazole, 2-Picryl-1,2,3-Triazole, 4-Nitro-1-Picryl-1,2,3-Triazole, and 4-Nitro-2-Picryl-1,2,3-Triazole," C. B. Storm, R. R. Ryan, J. P. Ritchie, J. H. Hall, and S. M. Bachrach, Journal of Physical Chemistry, 1989, 93, 1000.
11. "Amide Coordination Effects in Organolithiums," Steven M. Bachrach and James P. Ritchie, Journal of the American Chemical Society, 1989, 111, 3134.
12. "Topological Electron Density Analysis of Phosphines, Phosphaalkenes, and Phosphaalkynes," Steven M. Bachrach, Journal of Computational Chemistry, 1989, 10, 392.
13. "Application of Various Population Methods to Some Oxygenated Compounds," Steven. M. Bachrach and Andrew Streitwieser, Jr., Journal of Computational Chemistry, 1989, 10, 514.
14. "The Crystal Structure of UO2Cl2(OH2)(MeCN)2.2MeCN," Tom J. Hall, Carol J. Mertz, Steven M. Bachrach, William G. Hipple, and Robin D. Rogers, Journal of Crystallographic and Spectroscopic Research, 1989, 19, 499.
15. "VGEOM: A Program to View Molecular Geometries," James P. Ritchie, Steven M. Bachrach, and Ian C. Faloona, QCPE, QCMP063, 1989.
16. "The Crystal Structure of All-trans-1,6-Diphenyl- and All-trans-1,6-Di-o-methoxyphenyl-1-3-5-hexatriene," Tom J. Hall, Steven M. Bachrach, Charles W. Spangler, Linda S. Sapochak, C. T. Lin, H. W. Guan, and Robin D. Rogers, Acta Crysallographica, 1989, C45, 1541.
17. "1,3-Diphosphabicyclo[1.1.1]pentane Dication. Theoretical Evidence for an Inverted Phosphorus Atom," Steven M. Bachrach, Journal of Molecular Structure (THEOCHEM), 1990, 204, 131.
18. "Theoretical Studies of Phosphirane and Phosphetane," Steven M. Bachrach, Journal of Physical Chemistry, 1989, 93, 7780.
19. "Nucleophilic Substitution of Oxygen: The Reaction of PH3 and NH3 with H3NO. An Ab Initio Investigation.", Steven M. Bachrach, Journal of Organic Chemistry, 1990, 55, 1016.
20. "Preparation of 1,3-Diphosphaallene from 1,2-Diphosphacyclopropane: A Theoretical Investigation.", Meixiao Liu and Steven M. Bachrach, Phosphorus, Sulfur, and Silicon and the Related Elements, 1990, 53, 7.
21. "VGEOM: A Program to View Molecular Geometries for the Macintosh Computer," Steven M. Bachrach, QCPE, QMAC 012, 1989.
22. "The Group Equivalent Reaction: An Improved Method for Determining Ring Strain Energy", Steven M. Bachrach, Journal of Chemical Education, 1990, 67, 907.
23. "On the Resonance Energy of Methylenecyclopropene and Cylopropenone" Steven M. Bachrach, Journal of Organic Chemistry, 1990, 55, 4961.
24. "Comparison of the Calculated Acidity of Cubane with that of Other Strained and Unstrained Hydrocarbons", James P. Ritchie and Steven M. Bachrach, Journal of the American Chemical Society, 1990, 112, 6514.
25. "Structure and Inversion Barrier of Phosphirene and 1,2-Dihydrophosphete. An Ab Initio Study", Steven M. Bachrach, Journal of Organic Chemistry, 1991, 56, 2205.
26. "Structure, Topological Electron Density Analysis and Aromaticity of 4-Heterosubstituted Methylenecyclopropenes: X=C-CH=CH; X=CH2, NH, O, SiH2, PH, and S.", Steven M. Bachrach and Meixiao Liu, Journal of Physical Organic Chemistry, 1991, 4, 242.
27. "Ab Initio Calculations on the Diazirinyl Anion. A Nonaromatic Species.", Roseann L. Kroeker, Steven M. Bachrach, and Steven R. Kass, Journal of Organic Chemistry, 1991, 56, 4062.
28. "Topological Electron Density Analysis of Halogen-Substituted Phosphirenes.", Steven M. Bachrach, Journal of Molecular Structure (THEOCHEM), 1992, 255, 207 (invited paper).
29. "Rotational Energy Surfaces of Aza- and Phospha-1,3-butadienes. A Theoretical Study.", Steven M. Bachrach and Meixiao Liu, Journal of the American Chemical Society, 1991, 113, 7929.
30. "Ab Initio Study of the Conrotatory Ring Opening of Phospha- and Azacyclobutenes. I. Mono-phospha- and Mono-azacyclobutenes.", Steven M. Bachrach and Meixiao Liu, Journal of Organic Chemistry, 1992, 57, 209-215.
31. "Ab Initio Study of the Conrotatory Ring Opening of Phospha- and Azacyclobutenes. II. Di-phospha- and Di-azacyclobutenes," Steven M. Bachrach and Meixiao Liu, Journal of Organic Chemistry, 1992, 57, 2040.
32. "Theoretical Investigation of the Conversion of Methylene-1,2-diphosphirane Carbene to 1,4-Diphospha-1,2,3-butatriene," Steven M. Bachrach, Journal of Molecular Structure (THEOCHEM), 1992, 277, 45.
33. "Molecular Structure of Phosphonium Ylides," Steven M. Bachrach, Journal of Organic Chemistry, 1992, 57, 4367.
34. "Conformations and Relative Energies of Tetrahydropyridines," Steven M. Bachrach and Meixiao Liu, Tetrahedron Letters, 1992, 33, 6771.
35. "Diels-Alder Reactions of Aza- and Phospha-1,3-Butadienes with Ethylene. An Ab Initio Study," Steven M. Bachrach and Meixiao Liu, Journal of Organic Chemistry, 1992, 57, 6736.
36. "Ring Strain Energy and Inversion Barrier of Phospha[3]radialene and Aza[3]radialene," Steven M. Bachrach, Journal of Physical Chemistry, 1993, 97, 4996.
37. "Ion Pair Acidities of Some Silanes in Tetrahydrofuran," Andrew Streitwieser, Linfeng Xie, Peng Wang, and Steven M. Bachrach, Journal of Organic Chemistry, 1993, 58, 1778.
38. "Theoretical Studies of the [1,5]-Sigmatropic Hydrogen Shift in Cyclopentadiene, Pyrrole, and Phosphole," Steven M. Bachrach, Journal of Organic Chemistry, 1993, 58, 5414.
39. "Ring Strain Energy of Tetraphosphacubane. An Ab Initio Study," Steven M. Bachrach and Laureta M. Perriott, Tetrahedron Letters, 1993, 34, 6365.
40. "Theoretical Studies of Nucleophilic Substitution at Phosphorus. 1. PH3 + H- ® H- + PH3," Steven M. Bachrach and Debbie C. Mulhearn, Journal of Physical Chemistry, 1993, 97, 12229.
41. "Theoretical Studies of Methyl- and Vinylphosphole," Steven M. Bachrach and Laureta Perriott, Journal of Organic Chemistry, 1994, 59, 3394.
42. "Ab Initio Studies of the Dimerization of Ketene and Phosphaketene," Ulrike Salzner and Steven M. Bachrach, Journal of the American Chemical Society, 1994, 116, 6850.
43. "Ab Initio Study of the Diels-Alder Reaction Between Phospholes and Ethyne," Steven M. Bachrach, Journal of Organic Chemistry, 1994, 59, 5027.
44. "The Electronic Superhighway: What’s on it for Chemists," Steven M. Bachrach, Proceedings of the 1994 International Chemical Information Conference, H. Collier, Ed.; Infonortics Ltd: Calne, England, 1994, pp 25-34. Also published in Revue de l’Institut Francais du Petrole, 1995, 50, 457.
45. "Topological Electron Density Analysis of Organosulfur Compounds," Steven M. Bachrach and Ulrike Salzner, Journal of Molecular Structure (THEOCHEM), 1995, 337, 201
46. "Ab Initio Study of the Diels-Alder Reaction of Phosphaethene and Phosphaethyne with Butadiene," Steven M. Bachrach and Debbie C. Mulhearn in Proceedings of the First Electronic Computational Chemistry Conference - CDROM, Bachrach, S. M.; Boyd, D. B.; Gray, S. K.; Hase, W.; Rzepa, H. S., Eds., ARInternet: Landover, MD, 1996.
47. "Electronic Conferencing on the Internet: The First Electronic Computational Chemistry Conference," Steven M. Bachrach, Journal of Chemical Information and Computer Science. 1995, 35, 431.
48. "Chemistry on the Internet: The Northern Illinois University Chemistry WWW/Gopher Site," Steven M. Bachrach, Trends in Analytical Chemistry, 1995, 14, 182 (invited paper).
49. "Diels-Alder Reaction of Furan with Cyclopropenone. An Ab Initio Study," Steven M. Bachrach, Journal of Organic Chemistry, 1995, 60, 4395.
50. "1,6-Diphospha-1,5-hexadiene and the Phospha-Cope Rearrangement: an ab Initio Investigation," Ulrike Salzner and Steven M. Bachrach, Journal of Organic Chemistry, 1995, 60, 7101.
51. "Hydrogen Shifts in Formyl- and Diformylphosphine," Steven M. Bachrach and Debbie C. Mulhearn, Journal of Organic Chemistry, 1995, 60, 7110.
52. "[1,3]-Sigmatropic Rearrangement of 1,3,5-triphosphabicyclo[2.1.0]pent-2-ene," Steven M. Bachrach, Vinicius Caliman, and John F. Nixon, Journal of the Chemical Society, Chemical Communications, 1995, 2395.
53. "Cycloaddition Reactions Between Cyclopentadiene and Ketene. Ab Initio Examination of [2+2] and [4+2] Pathways," Ulrike Salzner and Steven M. Bachrach, Journal of Organic Chemistry, 1996, 61, 237.
54. "Theoretical Examination of the Diels-Alder Reaction of 1,3-Butadiene with Cyclopentadiene and 2H-phosphole," Steven M. Bachrach and Laureta M. Perriott, Canadian Journal of Chemistry, 1996, 74, 839 (invited paper for the special issue honoring Richard Bader).
55. "Nucleophilic Substitution at Sulfur: SN2 or Addition-Elimination?," Steven M. Bachrach and Debbie C. Mulhearn, Journal of Physical Chemistry, 1996, 100, 3535.
56. "Publishing Chemistry on the Internet," Steven M. Bachrach, Peter Murray-Rust, Henry S. Rzepa, and Benjamin J. Whitaker, Network Science, 1996, URL: http://www.netsci.com/Science/Special/feature07.html
57. "Ab Initio Investigation of the Diels-Alder Reaction between 2H-Phosphole and Phosphaethene: A Model for Phosphole Dimerization," Ulrike Salzner, Steven M. Bachrach, and Debbie C. Mulhearn, Journal of Computational Chemistry, 1997, 18, 198.
58. "Cycloaddition Reactions between 2H-Phosphole and Phosphaketene. Ab Initio Examination of [2+2] and [4+2] Pathways," (invited article) Ulrike Salzner and Steven M. Bachrach, Journal of Organometallic Chemistry, 1997, 529, 15.
59. "Selective Nucleophilic Attack of Trisulfides. An Ab Initio Study," Debbie C. Mulhearn and Steven M. Bachrach, Journal of the American Chemical Society, 1996, 118, 9415.
60. "Publishing Primary Literature on the Internet," Steven M. Bachrach, Proceedings of the 1996 International Chemical Information Conference, H. Collier, Ed.; Infornortics Ltd: Calne, England, 1996, pp 135-140.
61. "The Diels-Alder Reaction of 1,3,5-Triphosphabenzene with Phosphaacetylene," Steven M. Bachrach and Peter Magdalinos, Journal of Molecular Structure (THEOCHEM), 1996, 368, 1.
62. "Diels-Alder Reaction of an Ene-Phospha-Yne," Steven M. Bachrach, Journal of Organic Chemistry, 1997, 62, 5801.
63. "Ab Initio Study of the Thio-Ene Reaction. 1. The Enophile Substituent Effect," Steven M. Bachrach and Sulin Jiang, Journal of Organic Chemistry, 1997, 62, 8319.
64. "Ab Initio Study of the Diels-Alder Reaction of 2-Propenethial," Steven M. Bachrach and Sulin Jiang, Journal of the Chemical Society, Perkin Transactions 2, 1998, 355.
65. "Organoselenium Compounds: Comparisons of Computational Methods, Geometries and Electron Density Distribution," Steven M. Bachrach and Sulin Jiang, Internet Journal of Chemistry, 1998, 1, 3.
66. "Designing the Next-Generation Chemistry Journal: The Internet Journal of Chemistry," Steven M. Bachrach, Darin C. Burleigh, and Anatoli Krassavine, Issues in Science & Technology Librarianship, 1998, 17. URL: http://www.library.ucsb.edu/istl/98-winter/article1.html
67. "Remarkable Deprotonation Energies of Tetraphosphacubanes," Steven M. Bachrach and BettyCep D. Gailbreath, Journal of the American Chemical Society, 1998, 120, 3528.
68. "Ring Strain Energies of Tetraphospha- and Tetraarsacubanes," Steven M. Bachrach and BettyCep D. Gailbreath, Tetrahedron Letters, 1998, 39, 4211.
69. "Gas-Phase Basicity of Sulfuric Acid," Khanh Do, Timothy P. Klein, Cynthia Ann Pommerening, Steven M. Bachrach and Lee S. Sunderlin, Journal of the American Chemical Society, 1998, 120, 6093.
70. "End-User Customized Chemistry Journal Articles," Steven M. Bachrach, Anatoli Krassavine, and Darin C. Burleigh, Journal of Chemical Information and Computer Sciences, 1999, 39, 81.
71. "Who Should Own Scientific Papers?" Steven Bachrach, R. Stephen Berry, Martin Blume, Thomas von Foerster, Alexander Fowler, Paul Ginsparg, Stephen Heller, Neil Kestner, Andrew Odlyzko, Ann Okerson, Ron Wigington and Anne Moffat, Science, 1998, 281, 1459.
72. "The Internet Journal of Chemistry: What Lessons Have We Learned After Our First Year?," Steven M. Bachrach and Anatoli Krassavine, Proceedings of the 1998 International Chemical Information Conference, H. Collier, Ed.; Infonortics Ltd: Tetbury, England, 1998, pp 26-34.
73. "Alkali Metal Salts of Dianions: A Theoretical and Experimental Study of   (C6H4)2- M+, M = Li and Na," Steven M. Bachrach, Michael Hare and Steven R. Kass, Journal of the American Chemical Society, 1998, 120, 12646.
74. "The Addition of Protonated Water to SO3," Cynthia A. Pommerening, Steven M. Bachrach and Lee S. Sunderlin, Journal of Physical Chemistry A, 1999, 103, 1214.
75. "Proton Affinity of SO3," Cynthia A. Pommerening, Steven M. Bachrach and Lee S. Sunderlin, Journal of the American Society for Mass Spectrometry, 1999, 10, 856.
76. "Theoretical Study of the Diels-Alder Reaction of Selenoaldehydes and Selenoketones, " Steven M. Bachrach and Sulin Jiang, Journal of Organic Chemistry, 1999, 64, 8248.
77. "The Potential Energy Surface of SCl3-," BettyCep D. Gailbreath, Cynthia Ann Pommerening, Steven M. Bachrach and Lee S. Sunderlin, Journal of Physical Chemistry A, 2000, 104, 2958.
78. "The 21st Century Chemistry Journal," Steven M. Bachrach, Quimica Nova, 1999, 22, 273.
79. "The Internet Journal of Chemistry: A Case Study of an Electronic Chemistry Journal," Steven M. Bachrach and Stephen R. Heller, Serials Review, 2000, 26, 3.
80. "The Journals Crisis: Redirecting the Blame," Steven M. Bachrach, Journal of Chemical Information and Computer Sciences, 2001, 41, 264.
81. "Theoretical Study of Nucleophilic Substitution at Two-Coordinate Sulfur," Steven M. Bachrach and BettyCep D. Gailbreath, Journal of Organic Chemistry, 2001, 66, 2005.
82. "DFT Study of the Cycloaddition Reactions of Strained Alkynes," Steven M. Bachrach, John C. Gilbert and Darin W. Laird, Journal of the American Chemical Society, 2001, 123, 6706. (This article was featured in Chemical and Engineering News, 2001, 79 (28 - July 9), 41.)
83. "Aromaticity of Annulated Benzene, Pyridine, and Phosphabenzene," Steven M. Bachrach, Journal of Organometallic Chemistry, 2002, 643-644, 39  (invited paper for the issue in honor of Francois Mathey).
84. "SPARC: The View from the Faculty," Steven M. Bachrach, Serials, 2001, 14, 137.
85. "Potential Energy Surface of SOCl3-," Steven M. Bachrach, Joseph M. Hayes, Catherine E. Check and Lee S. Sunderlin, Journal of Physical Chemistry A, 2001, 105, 9595.
86. "Integration of Chemical Data using XML," Steven M. Bachrach, SAR and QSAR in Environmental Research, 2002, 13, 381.
87. "DFT Gas and Solution Phase Study of Nucleophilic Substitution at Di- and Trisulfide," Steven M. Bachrach, Joseph M. Hayes, Trang (Jan) Dao and Justin L. Mynar, Theoretical Chemistry Accounts, 2002, 107, 266.
88. “Structures and Relative Energies of Polylithiated Benzenes,” Steven M. Bachrach and James V. Miller Jr., Journal of Organic Chemistry, 2002, 67, 7389.
89. "“Effect of Ring Strain on the Thiolate-Disulfide Exchange. A Computational Study,” Steven M. Bachrach, Joshua T. Woody and Debbie C. Mulhearn, Journal of Organic Chemistry, 2002, 67, 8983.
90. “Structure, Deprotonation Energy, and Cation Affinity of an Ethynyl Expanded Cubane,” Steven M. Bachrach, Journal of Physical Chemistry A, 2003, 107, 4957.
91. “Theoretical Study of Nucleophilic Substitution at the Disulfide Bridge of Cyclo-L-Cystine,” Steven M. Bachrach and Adam C. Chamberlin, Journal of Organic Chemistry, 2003, 68, 4343.
92. “Effect of Micro and Bulk Solvation on the Mechanism of Nucleophilic Substitution at Sulfur in Disulfides,” Joseph M. Hayes and Steven M. Bachrach, Journal of Physical Chemistry A, 2003, 107, 7952.
93. “Publishing at the Crossroads: Who is Going to be Doing What?,” Steven M. Bachrach, Proceedings of the 2003 International Chemical Information Conference, H. Collier, Ed.; Infonortics Ltd: Tetbury, England, 2003, pp 79-88.
94. “Bond Strengths in ChCl3- and ChOCl3- Systems (Ch = S, Se): Experiment and Theory,” Kim C. Lobring, Jordan K. Forbes,* Michael R. J. Ivanov, Steven M. Bachrach and Lee S. Sunderlin, Journal of Physical Chemistry A, 2003, 107, 11153.
95. “Sequential Deprotonation of Lithiated Benzenes," Steven M. Bachrach and Adam C. Chamberlin*, Journal of Organic Chemistry, 2004, 69, 2111.
96. “Nucleophilic Attack at Selenium in Diselenides and Selenosulfides. A Computational Study,” Steven M. Bachrach, Dustin W. Demoin,* Michelle Luk,* James V. Miller Jr., Journal of Physical Chemistry A, 2004, 108, 4040.
97. “The Reaction of Cyclopentyne with Ethene: Concerted vs. Stepwise Mechanism?," Steven M. Bachrach and John C. Gilbert, Journal of Organic Chemistry, 2004, in press.

Book Chapters

1. "The Structure, Bonding and Spectroscopic Properties of Phosphonium Ylides," Steven M. Bachrach and Carmen I. Nitsche, in "The Chemistry of Organophosphorus Compounds", Hartley , F. R., Ed., Vol. 3, in the series "The Chemistry of the Functional Groups", Patai, S., Ed., Wiley, Chichester, England, 1994, pp. 273-302.
2. "Population Analysis and Electron Densities from Quantum Mechanics," Steven M. Bachrach, in "Reviews in Computational Chemistry", Boyd, D. B. and Lipkowitz, K., Eds., vol. 5, VCH Publishers, 1994, pp. 171-228.
3. "Bonding, Structures and Energies in Organolithium Compounds," Andrew Streitwieser, Jr., Steven M. Bachrach, Andrea Dorigo and Paul v. R. Schleyer in "Lithium Compounds: A Theoretical and Experimental Overview", Sapse, A.-M. and Schleyer, P. v. R., Eds., Wiley: New York, 1995, pp. 1-43.
4. "Gopher," Steven M. Bachrach in "The Internet: A Guide for Chemists", Bachrach, S. M., Ed., ACS Publications, Washington, DC, 1996, pp 75-104.
5. "Scientific Journals of the Future," Steven M. Bachrach in The Transition from Paper: Where Are We Going and How Will We Get There?, R. S. Berry, A. S. Moffat, Eds, American Academy of Arts and Sciences, 2001, URL: http://www.amacad.org/publications/trans4.htm.
6. "Electronic Conferences," Steven M. Bachrach in The Transition from Paper: Where Are We Going and How Will We Get There?, R. S. Berry, A. S. Moffat, Eds, American Academy of Arts and Sciences, 2001, URL: http://www.amacad.org/publications/trans9.htm

Books Edited

1. "The Internet: A Guide for Chemists", Steven M. Bachrach, Editor, ACS Publications, Washington, DC, 1996.
2. "Proceedings of the First Electronic Computational Chemistry Conference - CDROM," Steven M. Bachrach, S. M., Donald B. Boyd, Stephen K. Gray, William Hase, Henry S. Rzepa, Eds., ARInternet: Landover, MD, 1996.

Journals Edited

1. Internet Journal of Chemistry, Editor-in-Chief, January 1998 - current.

Journals Guest Edited

1. Journal of Molecular Structure (THEOCHEM), 1996, 368 (Proceedings of the Second Electronic Computational Chemistry Conference).
2. Journal of Molecular Structure (THEOCHEM), 1997, 419 (Proceedings of the Third Electronic Computational Chemistry Conference).

Book and Software Reviews

1. "Advances in Molecular Modeling," vol. 1, D. Liotta, Ed., Journal of the American Chemical Society, 1989, 111, 1945.
2. "The Concept of Electronegativity and Structural Chemistry," Batsanov, S. S., Journal of the American Chemical Society, 1992, 114, 800.
3. "The Internet for Scientists," O’Donnell, K.; Winger, L. and "The World Wide Web for Scientists & Engineers: A Complete Reference for Navigating, Researching and Publishing Online," Thomas, B. J., Physics Today, 1998, 51, 82.
4. "AMPAC 6.6 with AMPAC 6.0 Graphic Interface," Journal of the American Chemical Society, 2000, 122, 12411.
5. "I Think, Therefore I Am: a review of Who Owns Academic Work? Battling for Control of Intellectual Property," New Scientist, 2001, 172 (Dec. 1, 2001), 50.

Presentations at Meetings and Conferences

1. "Topological Electron Density Analysis of Phosphines, Phosphaalkenes, and Phosphaalkynes," 21st Midwest Theoretical Chemistry Conference, Argonne National Laboratory, May 13, 1988.
2. "Cubane Acidity: An Ab Initio Study," (with James P. Ritchie) 197th National Meeting of the American Chemical Society, Dallas, TX, April 9-14, 1989.
3. "Structure, Topological Electron Density and Aromaticity of 4-Heterosubstituted Methylenecyclopropenes," (with Meixiao Liu), 23rd Midwest Theoretical Chemical Conference, Madison, WI, May 17-19, 1990.
4. "Structure and Aromaticity of 4-Heterosubstituted Methylenecyclopropenes," (with Meixiao Liu), 23rd Reaction Mechanisms Conference, Boulder, CO, June 10-17, 1990.
5. "Ab Initio Investigation of Diels-Alder Reactions of Mono-phospha- and Mono-aza-1,3-butadienes with Ethylene," (with Meixiao Liu), 203rd National Meeting of the American Chemical Society, San Francisco, CA, April 5-10, 1992.
6. "The Diels-Alder Reactions of Ethylene with Aza- and Phospha-1,3-Butadienes. An Ab Initio Study," (with Meixiao Liu), 24th Reaction Mechanisms Conference, Orono, ME, June 6-11, 1992.
7. "Theoretical Studies of the [1,5]-Sigmatropic Hydrogen Shift in Cyclopentadiene, Pyrrole, and Phosphole," 206th National Meeting of the American Chemical Society, Chicago, IL August 22-27, 1993.
8. "Theoretical Studies of Nucleophilic Substitution at Sulfur," (with Debbie C. Mulhearn), 207th National Meeting of the American Chemical Society, San Diego, CA, March 13-17, 1994
9. "Theoretical Studies of Nucleophilic Substitution at Sulfur," (with Debbie C. Mulhearn), 27th Midwest Theoretical Chemistry Conference, Columbia, Missouri, May 19-21, 1994.
10. "Ab Initio Study of the Diels-Alder Reaction Between Phosphole and Acetylene," 25th Reaction Mechanisms Conference, Notre Dame, IN, June 10-15, 1994.
11. "The Electronic Superhighway: What’s on it for Chemists," (invited lecture) The International Chemical Information Conference and Exhibition, Annecy, France, October 17-19, 1994.
12. "Ab Initio Study of the Diels-Alder Reaction of Phosphaethene and Phosphaethyne with Butadiene," (with Debbie C. Mulhearn), First Electronic Computational Chemistry Conference, Nov. 7-19, 1994.
13. "[1,3]- and [1,5]-H Shifts in Diformylphosphine: A Theoretical Study," (with Debbie C. Mulhearn), 209th National Meeting of the American Chemical Society, Anaheim, CA April 2-6, 1995.
14. "Becoming an Information Provider on the Internet," Steven M. Bachrach, 210th National Meeting of the American Chemical Society, Chicago, IL August 20-24, 1995.
15. "Collaboration on the Internet," Steven M. Bachrach, 210th National Meeting of the American Chemical Society, Chicago, IL August 20-24, 1995.
16. "Ab Initio Study of the Diels-Alder Reaction between 2H-phosphole and 1,3-butadiene," (with Laureta M. Perriott), 210th National Meeting of the American Chemical Society, Chicago, IL August 20-24, 1995.
17. "Selective Nucleophilic Attack of Trisulfides: An Ab Initio Study," (with Debbie C. Mulhearn), 211th National Meeting of the American Chemical Society, New Orleans, LA March 24-28, 1996.
18. "An Ab Initio Study of the Model Thio-Wittig Reaction of PH3CH2 + CH2S ® PH3S + C2H4," (with Laureta M. Perriott), 211th National Meeting of the American Chemical Society, New Orleans, LA March 24-28, 1996.
19. "Chemical Information on the Internet, " (invited lecture) National Chemical Information Conference, Charleston, SC, July 14-18, 1996.
20. "Internet Tools for Chemists." (invited lecture), 212th National Meeting of the American Chemical Society, Orlando, FL, August 25-29, 1996.
21. "Publishing Primary Literature on the Internet," (invited lecture) The International Chemical Information Conference and Exhibition, Nimes, France, October 21-23, 1996.
22. "Recent Advances in WWW Technologies," (invited lecture) The 48th ACS Southeast Regional Meeting, Greenville, SC, November 10-12, 1996.
23. "Publishing Primary Literature on the Internet," (invited banquet address), Cincinnati ACS Local Section Meeting, December 4, 1996.
24. "Nucleophilic Substitution at Sulfur," (invited lecture) Structural and Mechanistic Organic Chemistry - an International Conference in Honor of Professor Norman L. Allinger, Athens, GA, June 3-7, 1997.
25. "Revolution of the Chemical Journal," 214th National Meeting of the American Chemical Society, Las Vegas, NV, September 7-11, 1997.
26. "Theoretical Studies of Strained Cyclic Organophosphorus and Organoarsenic Compounds," 5th North American Chemical Conference, Cancun, MX, November 11-15, 1997.
27. "Theoretical Study of the Thio-Ene Reaction," (with Sulin Jiang), 5th North American Chemical Conference, Cancun, Mexico, November 11-15, 1997.
28. "Diels-Alder Reactions of Seleno-Aldehydes," (with Sulin Jiang), 215th National Meeting of the American Chemical Society, Dallas, TX, March 29-April 2, 1998.
29. "Next-Generation Chemistry Journal," (invited banquet address), 31st Midwest Theoretical Chemistry Conference, Purdue University, May 22, 1998.
30. "The 21st Century Chemistry Journal," (invited lecture), 21 Reuniao Anual da Sociedade Brasileira de Quimica, Pocos de Caldas, Brazil, May 25-28, 1998.
31. "The Next-Generation Chemistry Journal: The Internet Journal of Chemistry", Chemistry and the Internet Conference, Irvine, CA, September 12-15, 1998.
32. "Next-Generation Chemistry Publication," (invited banquet address), Rock River Local American Chemical Society Section Meeting, DeKalb, IL, September 17, 1998.
33. "Chemistry, the Internet and Publishing," (invited banquet address), Society for Applied Spectroscopy - Chicago Section Meeting, Arlington Heights, IL, October 13, 1998.
34. "The Internet Journal of Chemistry: What Lessons Have We Learned After Our First Year?," (invited lecture), The International Chemical Information Conference and Exhibition, Nimes, France, October 18-20, 1998.
35. "A Chemist’s View of the e-Publication Market," (invited lecture), STM Publishing in the Digital Age: the End or the Beginning?, Washington, DC, April 22-23, 1999.
36. "Journals in CyberSpace: the Internet Journal of Chemistry," (invited lecture), ACS 31st Central Regional Meeting, Columbus, OH, June 21-23, 1999.
37. "Internet Journal of Chemistry: Interactive Publication," (invited lecture), 28th National Meeting of the American Chemical Society, New Orleans, LA, August 22-26, 1999.
38. "Chemistry and the Internet: Perspectives on the Future," (invited lecture), 28th National Meeting of the American Chemical Society, New Orleans, LA, August 22-26, 1999.
39. "The Internet Journal of Chemistry - A Status Report," (invited lecture), Chemistry and the Internet Meeting (ChemInt99), Washington DC, September 25-27, 1999.
40. "Internet Publication," (invited workshop), Midwestern Association of Chemistry Teachers in Liberal Arts Colleges (MACTLAC) Annual Meeting, Rock Island, IL October 15-16, 1999.
41. "Theoretical Study of the Nucleophilic Substitution of Sulfides," (with BettyCep D. Gailbreath), 219th National Meeting of the American Chemical Society, San Francisco CA, March 26-30, 2000.
42. "Chemical Publication: A Critical Evaluation," (Invited lecture), 220th National Meeting of the American Chemical Society, Washington DC, August 20-24, 2000.
43. "Future of Electronic Chemistry Publication," (Invited lecture), 221st National Meeting of the American Chemical Society, San Diego CA, April 1-5, 2001.
44. "Solvent Effects in the Thiolate-Disulfide Exchange," (with Justin L. Mynar*), 221st National Meeting of the American Chemical Society, San Diego CA, April 1-5, 2001.
45. "Effect of Ring Strain on the Thiolate-Disulfide Exchange," (with Joshua Woody*), 221st National Meeting of the American Chemical Society, San Diego CA, April 1-5, 2001.
46. "Nucleophilic Substitution of Disulfides," (with Trang Dao*), 221st National Meeting of the American Chemical Society, San Diego CA, April 1-5, 2001.
47. "Chemical Publication: A Critical Evaluation," (Invited Plenary Lecture), 16th Annual Conference of the North American Serials Interest Group, San Antonio, TX May 23-26, 2001.
48. "Integrating Non-Textual Data within Electronic Publication," (Invited Lecture), Change and Continuity in Scientific Communication, Amsterdam June 25, 2001.
49. "Intelligent Exchange of Chemical Information," (Invited Lecture), Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMPTI-2001), Bordeaux, France, July 11-13, 2001.
50. "Cycloaddition Reactions of Strained Alkynes," (with John C. Gilbert and Darin W. Laird), 222nd National Meeting of the American Chemical Society, Chicago IL, August 26-30, 2001.
51. "Nucleophilic Substitution at Selenium," (with Michelle Luk*), 57th Southwest Regional American Chemical Society Meeting, San Antonio TX, October 17-20, 2001
52. "Computational Investigation of the Mechanism of Nucleophilic Substitution at Sulfur in Di- and Trisulfides," (with Jospeh M. Hayes), 57th Southwest Regional American Chemical Society Meeting, San Antonio TX, October 17-20, 2001
53. "Computational Investigation of the Solution-Phase Mechanism of Nucleophilic Substitution at Sulfur," (with Joseph M. Hayes), 223rd National American Chemical Society Meeting, Orlando FL, April 7-11, 2002.
54. "Nucleophilic Substitution at Selenium," (with Michelle Luk*), 223rd National American Chemical Society Meeting, Orlando FL, April 7-11, 2002.
55. "Scientists as Authors: the Future of Publishing," (Invited Plenary Address), United Kingdom Serials Group Conference 2002, University of Warwick, Coventry UK, April 15-17, 2002.
56. "Effect of Ring Strain on the Cycloaddition of Strained Alkynes with Ethene," (with John C. Gilbert), 29th Reaction Mechanisms Conference, Columbus OH, June 28- July 1, 2002.
57. “Publishing in the 3rd Millennium” and “Academicians and Librarians: 21st Century Partners” presented as a launch for campus-wide discussion of publication issues, University of Richmond, Richmond VA, March 10-11, 2003.
58. “Nucleophilic attack at the disulfide of a simple dipeptide,” (with Adam C. Chamberlin), 225th National American Chemical Society Meeting, New Orleans LA, March 23-27, 2003.
59. “Chemistry journals: How I want to read in 2012,” (Invited lecture), 225th National American Chemical Society Meeting, New Orleans LA, March 23-27, 2003.

Conferences Organized

1. XXIV Midwest Theoretical Chemistry Conference, DeKalb, IL, May 16-18, 1991 (with Stephen K. Gray).
2. First Electronic Computational Chemistry Conference, World-Wide Web Conference, November 7-19, 1994.
3. Electronic Conference on Trends in Organic Chemistry, World-Wide Web Conference, June 12-23, 1995 (consultant to the organizing committee and ran mirror site).
4. Chemistry on the Infobahn, Symposium at the 210th National Meeting of the American Chemical Society, Chicago, IL, August 20-25, 1995 (with Thomas Pierce and Henry Rzepa).
5. Second Electronic Computational Chemistry Conference, World-Wide Web Conference, November 1-30, 1995.
6. Intranets: Chemical Applications and Uses of Web Technologies, Symposium at the 212th National Meeting of the American Chemical Society, Orlando, FL, August 25-29, 1996 (with Thomas Pierce and Henry Rzepa).
7. Third Electronic Computational Chemistry Conference, World-Wide Web Conference, November 1-30, 1996.
8. Fourth Electronic Computational Chemistry Conference, World-Wide Web Conference, November 1-30, 1997.
9. Symposium on Cubanes, Homocubanes, and Heterocubanes (X=P, As, N): Synthesis and Chemistry, at the 5th North American Chemical Conference, Cancun, MX, November 11-15, 1997 (with Kenneth Laali).
10. Chemistry and the Internet Conference (ChemInt98), Irvine, CA, September 12-15, 1998 (with Stephen Heller and Henry Rzepa).
11. Fifth Electronic Computational Chemistry Conference, World-Wide Web Conference, November 2-30, 1998.
12. Chemistry and the Internet Conference (ChemInt99), Washington, DC, September 25-27, 1999 (with Stephen Heller and Henry Rzepa).
13. Chemistry and the Internet Conference (ChemInt2000), Washington, DC, September 23-26, 2000 (with Stephen Heller and Henry Rzepa).

Panel Membership

1. "The Transition from Paper" study group, R. Stephen Berry, chair, sponsored by the American Academy of Arts and Sciences.