Steven Bachrach
	Dr. D. R. Semmes Distinguished Professor of Chemistry Department of Chemistry Trinity University 715 Stadium Drive San Antonio, TX 78212 sbachrach@trinity.edu phone: (210)999-7379 fax: (210)999-7569

Articles Available on the Web

• 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.
  URL: http://hackberry.chem.trinity.edu/SMB/AnnecyTalk.html

• Chemistry on the Internet: The Northern Illinois University Chemistry WWW/Gopher Site, Steven M. Bachrach, Trends in Analytical Chemistry, 1995, 14, 182.
  URL: http://www.elsevier.nl:80/homepage/saa/trac/bachrach.htm

• Publishing Chemistry on the Internet, Steven M. Bachrach, Peter Murray-Rust, Henry S. Rzepa, Benjamin J. Whitaker, Network Science, 1996,
  URL: http://www.netsci.org/Science/Special/feature07.html

• The Diels-Alder Reaction of 1,3,5-Triphosphabenzene with Phosphaacetylene, Steven M. Bachrach, Peter Magdalinos, Journal of Molecular Structure (THEOCHEM), 1996, 368, 1.
  URL: http://www.elsevier.nl:80/homepage/saa/eccc2/paper26/paper26.html

• Organoselenium Compounds: Comparisons of Computational Methods, Geometries and Electron Density Distribution, Steven M. Bachrach and Sulin Jiang, Internet Journal of Chemistry, 1998, 1, 3.
  URL: http://www.ijc.com/articles/1998v1/3/

• Designing the Next-Generation Chemistry Journal: The Internet Journal of Chemistry Steven M. Bachrach, Darin C. Burleigh and Anatoli Krassivine, Issues in Science & Technology Librarianship, 1998, 17
  URL: http://www.library.ucsb.edu/istl/98-winter/article1.html

• [1,3]- and [1,5]-Hydrogen Shifts in Thials and Selenals Steven M. Bachrach and Abhiram Bapat, Internet Journal of Chemistry, 1999, 2, 13.
  URL: http://www.ijc.com/articles/1999v2/13/

Supporting Information for Some Articles

• Remarkable Deprotonation Energies of Tetraphosphacubanes, Steven M. Bachrach and BettyCep D. Gailbreath, J. Am. Chem. Soc., 1998, 120, 3528.

Materials Available - xyz coordinates of compounds 1-3 optimized at HF/6-31G* and MP2/6-31G*

files designates as text are ascii text files and files designated as xyz are XMol xyz format files ready for use within many molecular visulaization programs.

	HF/6-31G*	MP2/6-31G*
tetraphosphacubane 1	text xyz	text xyz
tetraphosphacubane conjugate base 1A	text xyz	text xyz
tetraoxotetraphosphacubane 2	text xyz	text xyz
tetraoxotetraphosphacubane conjugate base 2A	text xyz	text xyz
tetrathiotetraphosphacubane 3	text xyz	text xyz
tetrathiotetraphosphacubane conjugate base 3A	text xyz	text xyz

 

• DFT Study of the Cycloaddition Reactions of Strained Alkynes Steven M. Bachrach, John C. Gilbert and Darin W. Laird, J. Am. Chem. Soc., 2001, 123, 6706-6707.

Materials Available - xyz coordinates of compounds 1, 3, 4, 9-15 and transition states optimized at B3LYP/6-31G*. The xyz files can be directly utilized in many molecular visualization programs.
1 TS 1 -> 9 9 TS 9 -> 10 10       TS 9 -> 11 11 3 TS 3 -> 4 4 TS 4 -> 15 15   TS 3 -> 12 12 TS 12 -> 13 endo TS 12 -> 13 exo 13       TS 12 -> 14 14       TS 12 -> 15