Appendix E. README: Notes on the creation of a dissertation in ETD-ML.

E.1. ETD-ML source encoding.

This the first ETD-ML ETD ever to be submitted. As a hint for future ETD-ML authors, we have made the encoding for this ETD available in its source format.

The whole document is structured, with left-indentation corresponding to the logical subdivisions:

No spaces for a chapter, 
    4 spaces for a section, 
        8 spaces (tab) for a subsection, 
            12 spaces (tab + 4) for a block and 
                16 spaces (2 tabs) for a subblock.  

Links, floating matter, footnotes and tables are not indented. That is to allow an easier construction of a list of tables and list of figures by a reformatter (so far, I am the "reformatter" for those lists, I use the UNIX command "grep" and pipe the output to a file, so I have to keep all the text of the captions in the same line).

Greek letters are symbolyzed by their "{name}" to allow them to show up in the HTML version (there is no provision for greek characters in HTML 2.0). The "{name}" should be substituted by the Unicode number. Note: micro and mu are expressed by the same greek letter, but micro is a prefix in the SI system, while mu may have many other meanings. I considered them as separate entities to allow for a "smart" reformatter or search engine that could take that into account.

The entities chemname, casnum and chemform are included only to help in the search of chemical names, Chemical Abstracts Registry Numbers and chemical formulas, respectively.

E.2. Virtual Reality Modeling Language (VRML).

The three dimensional figures are VRML 1.0 models. The way to incorporate them into a formatted document depends on the technology available and the effect desired by the formatter. VRML figures can be shown as hyperlinks (in HTML) by means of an anchored reference, such as:

    <a href="carnitine/fig.RSWat.gif">(caption text)</a>

This is what I did in the HTML version of my dissertation, because of the computational overhead involved in loading and displaying literally hundreds of little VRML viewers in the same page. Anyway, the VRML models are still encoded as:

    <mm entity=VR.name>(caption text)</mm>
so the reformatter has to make the decision about displaying them as an anchored reference or as an embedded VRML viewer window, e.g., a smart reformatter could choose to display some of the 3D models as anchored references and embed the others.

The virtual reality viewer can also be embedded in a HTML homepage by means of the following code:

    <embed border=0 type="x-world/x-vrml" src="file.wrl" align=abscenter width=300 height=300>
    (caption text)
    </embed> 

It is strongly recommended that the "type" parameter be present. This helps the browser correctly handle the rendering of the image. In the future, it may be necessary to change the x-world/x-vrml type to the definitive MIME type declaration (probably "world/vrml"). So far, "x-world/x-vrml" is an experimental MIME type (thus the "x-" prefix), although it is recognized by most browsers.

These VRML files were succesfully viewed using CosmoPlayer and Live3D. PDB files can be converted to VRML using the script pdb2vrml, available from:

E.3. Chemical Markup Language (CML).

Markup coding of chemical information is still in its infancy. There is a beginning in CML v.1.0 (Chemical Markup Language). You can find all there is to know about CML at (as of June, 1997):

If the URL doesn't work, a Web search specifying "Chemical Markup Language" or "Open Molecule Foundation" should yield some relevant hits.

Attempting a "merge" of CML coding into ETD-ML coding was beyond the resources (mostly time) available to this writer, although it is clearly the best way to go. Future customizations of the ETD-ML for chemistry should allow for elements encoded in CML. Anyway, since so far there is no accepted standard format for encoding molecular structures I decided to store the structures as VRML models and in PDB format. The PDB format files are not referred to *at any point* in the text of the dissertation, they are kept only because they are the actual results obtained from the modeling and, therefore, contain more chemical information than VRML files. PDB is not even a de facto standard, but it is widely used and it is better than XYZ coordinates because it preserves the connectivities between the atoms (XYZ readers have to make educated guesses about how atoms are connected and about the bond orders).

E.4. Babel, PDB, Chime.

It is possible to use Babel, together with the PDB files and a Netscape plug-in called Chime (available without cost from MDL, Inc.), to yield a fancier rendering of the molecules. Use Babel to transform the PDB files to MDL's MOL format and embed the images in a HTML page using the following code:

    <embed border=0 type="chemical/x-mdl-molfile" src="file.mol" align=abscenter width=150 height=150>
    (caption text)
    </embed>

This will result in a figure containing a 2D projection of the 3D structure. Clicking on the right button of the mouse will bring up the option of 3D rendering. It also allows for real-time rotation, rendering as wires, ball and stick, sticks, VDW spheres and others. I have included the MDL molfiles. They have the extension ".mol". Chime can be downloaded from:

Chime can identify and render many other chemical types, such as: PDB, XYZ, MOPAC and Gaussian input, MDL's molfile and rxnfile, and EMBL nucleotide format. Only the MDL molfile format will yield the switchable 2D&lt;->3D view. [Note.]

BTW, Babel can be downloaded from the software archives of the Computational Chemistry Mailing List at:

looking under the appropriate operating system.

E.5. Reformatting the molecules.

If a reformatter decides to use XYZ files to visualize the molecules (after converting the PDB files to XYZ format), there is a Java applet developed by Sun Microsystems named XYZApp.class (downloadable from http://java.sun.com) that can do the job, although the rendering is somewhat primitive.

A minimum code to embed XYZApp.class in a HTML document is:

    <applet code=XYZApp.class width=300 height=300>
    <param name=model value=file.xyz>
    </applet>

It is necessary to have Matrix3D.class to be able to run XYZApp.class.

E.6. Footnotes.

All the footnotes are referred to as "Note."s. It would be desirable to have a reformatter that used more standard designations: superscript arabic numbers (Journal of American Chemical Society-style), or a standard sequence of characters (such as the ones specified in the journals "Science" or the "Proceedings of the National Academy of Sciences of the USA")

E.7. Notes on MOL notation substitution.

The following table contains only GIF images and VRML models. Substituting the extension "mol" instead of the "wrl" will access the MDL molfiles, displayable with Chime. It will also be necessary to move the *.mol files out of the MOL directory.In that case, the GIF images will be unnecessary, because molfiles in Chime yield both 2D and 3d views. This is likely to require human intervention, because a reformating script would have to be *really* smart to accomodate all these changes. The caption is all in one line to make it easier to use a utility like "grep" when gathering a "List of Tables." [See table.]

E.8. README.TXT: Files in this ETD.

Rosas.tar.gz can be gunzipped to yield a tarred file that contains all 
the files of my dissertation.  When untarred, the whole thing takes about 
6.5MB.  The following is a list of all the files included (total of 457, 
not including directories):

The version of gzip was 1.2.4.

dissertation:
total 1166
-rw-r--r--    1 rosas    user      320242 Jul  3 17:30 diss.etd
-rw-r--r--    1 rosas    user         243 Jun 17 13:16 README.TXT
drwxr-xr-x    4 rosas    user        1024 Jun 17 11:17 carnitine
drwxr-xr-x    3 rosas    user         512 Jun 17 11:09 cyclohexane
drwxr-xr-x    5 rosas    user        3072 Jun 17 11:04 cyclooctane
-rw-r--r--    1 rosas    user       13594 Mar 11 03:09 etd.dtd
drwxr-xr-x    4 rosas    user         512 Jun 17 11:31 methylphosp
drwxr-xr-x    3 rosas    user         512 Jun 17 11:10 morpholinium
drwxr-xr-x    5 rosas    user        3072 Jun 17 11:21 phosphacinium
drwxr-xr-x    2 rosas    user        1024 Jun 17 11:26 reviews

dissertation/carnitine:
total 247
drwxr-xr-x    2 rosas    user         512 Jun 17 11:17 MOL
drwxr-xr-x    2 rosas    user         512 Jun 17 11:17 PDB
-rw-r--r--    1 rosas    user       16959 May 17 11:46 RRGas.wrl
-rw-r--r--    1 rosas    user       17048 May 17 11:47 RRWat.wrl
-rw-r--r--    1 rosas    user       17017 May 17 11:48 RSGas.wrl
-rw-r--r--    1 rosas    user       16938 May 17 11:51 RSWat.wrl
-rw-r--r--    1 rosas    user        1967 May  1 12:32 TableAcCarnAM1Gas.html
-rw-r--r--    1 rosas    user        4961 May  1 12:33 TableAcCarnAM1Wat.html
-rw-r--r--    1 rosas    user        1781 May  1 12:33 TableAcCholAM1Gas.html
-rw-r--r--    1 rosas    user        2935 May  1 12:34 TableAcCholAM1Wat.html
-rw-r--r--    1 rosas    user        1949 May  1 12:34 TableCarnAM1Gas.html
-rw-r--r--    1 rosas    user        3251 May  1 12:34 TableCarnAM1Wat.html
-rw-r--r--    1 rosas    user        1203 May  1 12:34 TableCholAM1Gas.html
-rw-r--r--    1 rosas    user        1172 May  1 12:35 TableCholAM1Wat.html
-rw-r--r--    1 rosas    user        4805 May  1 12:36 TableOAcPrAM1Gas.html
-rw-r--r--    1 rosas    user        3950 May  1 12:36 TableOAcPrAM1Wat.html
-rw-r--r--    1 rosas    user        3356 May  1 12:37 TableOHPrAM1Gas.html
-rw-r--r--    1 rosas    user        2896 May  1 12:37 TableOHPrAM1Wat.html
-rw-r--r--    1 rosas    user         801 May 17 11:29 fig.RRWat.gif
-rw-r--r--    1 rosas    user         807 May 17 11:36 fig.RSWat.gif
-rw-r--r--    1 rosas    user         608 Feb  8 23:41 fig.extended.gif
-rw-r--r--    1 rosas    user        1511 May 18 12:47 fig.fitTI.gif
-rw-r--r--    1 rosas    user         510 May 22 14:17 fig.folded.gif
-rw-r--r--    1 rosas    user        4852 Apr  1 00:25 fig.highlight.gif
-rw-r--r--    1 rosas    user        2491 Apr  1 12:51 fig.hydrolysis1.gif
-rw-r--r--    1 rosas    user        4823 Apr  3 18:56 fig.solvation.gif
-rw-r--r--    1 rosas    user         731 May  5 21:15 fig.torsions.gif

dissertation/carnitine/MOL:
total 24
-rw-r--r--    1 rosas    user        2679 May 27 13:56 RRGas.mol
-rw-r--r--    1 rosas    user        2679 May 27 13:56 RRWat.mol
-rw-r--r--    1 rosas    user        2679 May 27 13:56 RSGas.mol
-rw-r--r--    1 rosas    user        2679 May 27 13:56 RSWat.mol

dissertation/carnitine/PDB:
total 40
-rw-r--r--    1 rosas    user        4620 May 17 11:41 RRGas.pdb
-rw-r--r--    1 rosas    user        4620 May 17 11:41 RRWat.pdb
-rw-r--r--    1 rosas    user        4620 May 17 11:41 RSGas.pdb
-rw-r--r--    1 rosas    user        4620 May 17 11:42 RSWat.pdb

dissertation/cyclohexane:
total 68
drwxr-xr-x    2 rosas    user         512 Jun 17 11:10 MOD
-rw-r--r--    1 rosas    user        1545 Jan 30 14:16 TableCyclohGas.html
-rw-r--r--    1 rosas    user        3660 May  1 13:49 TableDiMeCyclohGas.html
-rw-r--r--    1 rosas    user       15426 May  1 14:11 TableEtTriMeCyclohGas.html
-rw-r--r--    1 rosas    user        3913 May  1 14:03 TableTetraMeCyclohGas.html
-rw-r--r--    1 rosas    user        4378 May  1 14:02 TableTriMeCyclohGas.html
-rw-r--r--    1 rosas    user        3085 Mar  8 23:56 fig.hexConfs.gif

dissertation/cyclohexane/MOD:
total 813
-rw-r--r--    1 rosas    user        9431 Jun 17 11:09 CyclohexGas.out
-rw-r--r--    1 rosas    user       37811 Jun 17 11:09 DiMeCyclohexGas.out
-rw-r--r--    1 rosas    user       51129 Jun 17 11:09 TetMeCyclohexGas.out
-rw-r--r--    1 rosas    user       70920 Jun 17 11:09 TriMeCyclohexGas.out
-rw-r--r--    1 rosas    user      246240 Jun 17 11:09 TriMeEtCyclohexGas.out

dissertation/cyclooctane:
total 1331
drwxr-xr-x    2 rosas    user         512 Jun 17 11:04 MOD
drwxr-xr-x    2 rosas    user         512 Jun 17 10:02 MOL
drwxr-xr-x    2 rosas    user        1024 Jun 17 10:02 PDB
-rw-r--r--    1 rosas    user       10455 May  1 14:28 Table4MeCyclooctGas.html
-rw-r--r--    1 rosas    user       27249 May  1 14:28 Table5MeCyclooctGas.html
-rw-r--r--    1 rosas    user       19927 May 15 11:11 Table6MeCyclooctGas.html
-rw-r--r--    1 rosas    user        6936 May  1 14:30 TableCycloctGas.html
-rw-r--r--    1 rosas    user       14000 May 15 15:18 bb14O.wrl
-rw-r--r--    1 rosas    user       14195 May 15 15:31 bb24O.wrl
-rw-r--r--    1 rosas    user       15165 May 16 15:18 bb5O.wrl
-rw-r--r--    1 rosas    user       16350 May 16 22:21 bb6O.wrl
-rw-r--r--    1 rosas    user        9668 May 15 14:02 bc.wrl
-rw-r--r--    1 rosas    user       14058 May 15 15:17 bc14O.wrl
-rw-r--r--    1 rosas    user       15236 May 16 15:26 bc15O.wrl
-rw-r--r--    1 rosas    user       16189 May 16 22:29 bc16O.wrl
-rw-r--r--    1 rosas    user       14074 May 15 15:22 bc24O.wrl
-rw-r--r--    1 rosas    user       15183 May 16 15:27 bc25O.wrl
-rw-r--r--    1 rosas    user       16221 May 16 22:24 bc26O.wrl
-rw-r--r--    1 rosas    user       15291 May 16 15:37 bc35O.wrl
-rw-r--r--    1 rosas    user       15037 May 16 15:39 bc45O.wrl
-rw-r--r--    1 rosas    user       15179 May 16 15:43 bc55O.wrl
-rw-r--r--    1 rosas    user       15200 May 16 15:44 bc65O.wrl
-rw-r--r--    1 rosas    user       14201 May 15 15:33 cc4O.wrl
-rw-r--r--    1 rosas    user       15181 May 16 15:32 cc5O.wrl
-rw-r--r--    1 rosas    user         997 Mar 12 14:05 fig.BBtags.gif
-rw-r--r--    1 rosas    user         939 Mar 12 02:34 fig.BCtags.gif
-rw-r--r--    1 rosas    user         944 Mar 12 13:59 fig.Btags.gif
-rw-r--r--    1 rosas    user         846 Mar 12 12:30 fig.CCtags.gif
-rw-r--r--    1 rosas    user         971 Mar 12 13:48 fig.Ctags.gif
-rw-r--r--    1 rosas    user        1257 Mar 12 11:37 fig.TBCtags.gif
-rw-r--r--    1 rosas    user        1700 Mar 12 16:24 fig.TBtags.gif
-rw-r--r--    1 rosas    user        1751 Mar 12 12:46 fig.TCCtags.gif
-rw-r--r--    1 rosas    user        1593 Jun 13 15:25 fig.TCtags.gif
-rw-r--r--    1 rosas    user         430 May 14 21:50 fig.bb14O.gif
-rw-r--r--    1 rosas    user         435 May 14 21:49 fig.bb24O.gif
-rw-r--r--    1 rosas    user         489 May 15 11:04 fig.bb5O.gif
-rw-r--r--    1 rosas    user         449 May 15 14:18 fig.bb6O.gif
-rw-r--r--    1 rosas    user         249 May 14 20:01 fig.bc0O.gif
-rw-r--r--    1 rosas    user         301 May 14 21:23 fig.bc14O.gif
-rw-r--r--    1 rosas    user         364 May 14 22:15 fig.bc15O.gif
-rw-r--r--    1 rosas    user         439 May 15 14:21 fig.bc16O.gif
-rw-r--r--    1 rosas    user         301 May 14 21:20 fig.bc24O.gif
-rw-r--r--    1 rosas    user         365 May 14 22:37 fig.bc25O.gif
-rw-r--r--    1 rosas    user         441 May 15 14:20 fig.bc26O.gif
-rw-r--r--    1 rosas    user         402 May 14 23:20 fig.bc35O.gif
-rw-r--r--    1 rosas    user         405 May 14 23:24 fig.bc45O.gif
-rw-r--r--    1 rosas    user         434 May 15 10:58 fig.bc55O.gif
-rw-r--r--    1 rosas    user         435 May 15 11:01 fig.bc65O.gif
-rw-r--r--    1 rosas    user         324 May 14 21:54 fig.cc4O.gif
-rw-r--r--    1 rosas    user         334 May 14 22:52 fig.cc5O.gif
-rw-r--r--    1 rosas    user        1640 Mar 12 02:09 fig.chiralBCs.gif
-rw-r--r--    1 rosas    user        1689 Mar 12 02:47 fig.chiralTBCs.gif
-rw-r--r--    1 rosas    user         941 Mar 12 12:16 fig.crowntags.gif
-rw-r--r--    1 rosas    user         823 May 14 16:07 fig.hmx.gif
-rw-r--r--    1 rosas    user         435 May 14 21:32 fig.tb14O.gif
-rw-r--r--    1 rosas    user         435 May 14 22:58 fig.tb15O.gif
-rw-r--r--    1 rosas    user         511 May 15 11:18 fig.tb16O.gif
-rw-r--r--    1 rosas    user         427 May 14 21:34 fig.tb24O.gif
-rw-r--r--    1 rosas    user         459 May 14 23:04 fig.tb25O.gif
-rw-r--r--    1 rosas    user         515 May 15 11:21 fig.tb26O.gif
-rw-r--r--    1 rosas    user         481 May 14 23:07 fig.tb35O.gif
-rw-r--r--    1 rosas    user         489 May 14 23:17 fig.tb45O.gif
-rw-r--r--    1 rosas    user         307 May 14 20:42 fig.tbc-10O.gif
-rw-r--r--    1 rosas    user         311 May 14 20:29 fig.tbc10O.gif
-rw-r--r--    1 rosas    user         377 May 14 21:57 fig.tbc14O.gif
-rw-r--r--    1 rosas    user         394 May 15 10:38 fig.tbc15O.gif
-rw-r--r--    1 rosas    user         379 May 14 21:59 fig.tbc24O.gif
-rw-r--r--    1 rosas    user         389 May 15 10:41 fig.tbc25O.gif
-rw-r--r--    1 rosas    user         396 May 15 10:49 fig.tbc35O.gif
-rw-r--r--    1 rosas    user         392 May 15 10:51 fig.tbc45O.gif
-rw-r--r--    1 rosas    user         280 May 14 20:19 fig.tcc-10O.gif
-rw-r--r--    1 rosas    user         257 May 14 20:03 fig.tcc10O.gif
-rw-r--r--    1 rosas    user         365 May 14 21:27 fig.tcc14O.gif
-rw-r--r--    1 rosas    user         381 May 14 22:44 fig.tcc15O.gif
-rw-r--r--    1 rosas    user         357 May 14 21:28 fig.tcc24O.gif
-rw-r--r--    1 rosas    user         405 May 14 22:48 fig.tcc25O.gif
-rw-r--r--    1 rosas    user       14069 May 15 15:25 tb14O.wrl
-rw-r--r--    1 rosas    user       15190 May 16 15:33 tb15O.wrl
-rw-r--r--    1 rosas    user       16172 May 16 22:26 tb16O.wrl
-rw-r--r--    1 rosas    user       14143 May 15 15:28 tb24O.wrl
-rw-r--r--    1 rosas    user       15177 May 16 15:34 tb25O.wrl
-rw-r--r--    1 rosas    user       16226 May 16 22:27 tb26O.wrl
-rw-r--r--    1 rosas    user       15126 May 16 15:35 tb35O.wrl
-rw-r--r--    1 rosas    user       15168 May 16 15:36 tb45O.wrl
-rw-r--r--    1 rosas    user        9649 May 15 14:02 tbc1.wrl
-rw-r--r--    1 rosas    user       14084 May 15 15:37 tbc14O.wrl
-rw-r--r--    1 rosas    user       15276 May 16 15:40 tbc15O.wrl
-rw-r--r--    1 rosas    user        9654 May 15 14:04 tbc2.wrl
-rw-r--r--    1 rosas    user       14084 May 15 15:38 tbc24O.wrl
-rw-r--r--    1 rosas    user       15220 May 16 15:41 tbc25O.wrl
-rw-r--r--    1 rosas    user        9667 May 15 14:04 tbc3.wrl
-rw-r--r--    1 rosas    user       15116 May 16 15:45 tbc35O.wrl
-rw-r--r--    1 rosas    user        9667 May 15 14:05 tbc4.wrl
-rw-r--r--    1 rosas    user       15141 May 16 15:46 tbc45O.wrl
-rw-r--r--    1 rosas    user        9651 May 15 14:05 tcc1.wrl
-rw-r--r--    1 rosas    user       14027 May 15 15:23 tcc14O.wrl
-rw-r--r--    1 rosas    user       15302 May 16 15:29 tcc15O.wrl
-rw-r--r--    1 rosas    user       14082 May 15 15:24 tcc24O.wrl
-rw-r--r--    1 rosas    user       15238 May 16 15:31 tcc25O.wrl

dissertation/cyclooctane/MOD:
total 1177
-rw-r--r--    1 rosas    user       56619 Jun 17 11:03 CycloocTotGas.out
-rw-r--r--    1 rosas    user      190512 Jun 17 11:03 HexMeCycloocTotGas.out
-rw-r--r--    1 rosas    user      171493 Jun 17 11:03 PentMeCycloocTotGas.out
-rw-r--r--    1 rosas    user      183139 Jun 17 11:03 TetMeCycloocTotGas.out

dissertation/cyclooctane/MOL:
total 138
-rw-r--r--    1 rosas    user        2697 May 27 13:56 bb5O.mol
-rw-r--r--    1 rosas    user        2901 May 27 13:56 bb6O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 bc15O.mol
-rw-r--r--    1 rosas    user        2902 May 27 13:56 bc16O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 bc25O.mol
-rw-r--r--    1 rosas    user        2902 May 27 13:56 bc26O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 bc35O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 bc45O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 bc55O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 bc65O.mol
-rw-r--r--    1 rosas    user        2697 May 27 13:56 cc5O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 tb15O.mol
-rw-r--r--    1 rosas    user        2902 May 27 13:56 tb16O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 tb25O.mol
-rw-r--r--    1 rosas    user        2902 May 27 13:56 tb26O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 tb35O.mol
-rw-r--r--    1 rosas    user        2698 May 27 13:56 tb45O.mol
-rw-r--r--    1 rosas    user        2699 May 27 13:56 tbc15O.mol
-rw-r--r--    1 rosas    user        2699 May 27 13:56 tbc25O.mol
-rw-r--r--    1 rosas    user        2699 May 27 13:56 tbc35O.mol
-rw-r--r--    1 rosas    user        2699 May 27 13:56 tbc45O.mol
-rw-r--r--    1 rosas    user        2699 May 27 13:56 tcc15O.mol
-rw-r--r--    1 rosas    user        2699 May 27 13:56 tcc25O.mol

dissertation/cyclooctane/PDB:
total 347
-rw-r--r--    1 rosas    user        2899 May 15 11:28 BC.pdb
-rw-r--r--    1 rosas    user        2899 May 15 11:32 TBC1.pdb
-rw-r--r--    1 rosas    user        2899 May 15 11:31 TBC2.pdb
-rw-r--r--    1 rosas    user        2899 May 15 11:34 TBC3.pdb
-rw-r--r--    1 rosas    user        2899 May 15 11:35 TBC4.pdb
-rw-r--r--    1 rosas    user        2899 May 15 11:27 TCC1.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:56 bb140.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:57 bb240.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:04 bb5O.pdb
-rw-r--r--    1 rosas    user        4865 May 16 21:49 bb6O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:52 bc140.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:57 bc15O.pdb
-rw-r--r--    1 rosas    user        4865 May 16 21:49 bc16O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:52 bc240.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:57 bc25O.pdb
-rw-r--r--    1 rosas    user        4865 May 16 21:50 bc26O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:01 bc35O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:01 bc45O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:04 bc55O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:04 bc65O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:57 cc40.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:58 cc5O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:55 tb140.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:59 tb15O.pdb
-rw-r--r--    1 rosas    user        4865 May 16 21:47 tb16O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:55 tb240.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:58 tb25O.pdb
-rw-r--r--    1 rosas    user        4865 May 16 21:48 tb26O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:00 tb35O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:59 tb45O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:57 tbc140.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:02 tbc15O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:58 tbc240.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:02 tbc25O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:05 tbc35O.pdb
-rw-r--r--    1 rosas    user        4550 May 16 15:05 tbc45O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:53 tcc140.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:57 tcc15O.pdb
-rw-r--r--    1 rosas    user        4197 May 15 14:55 tcc240.pdb
-rw-r--r--    1 rosas    user        4550 May 16 14:58 tcc25O.pdb

dissertation/methylphosp:
total 271
drwxr-xr-x    2 rosas    user         512 Jun 17 11:15 Abinitio
drwxr-xr-x    2 rosas    user         512 Jun 17 11:31 PDB
-rw-r--r--    1 rosas    user       15784 Mar 15 02:53 cegxuh.wrl
-rw-r--r--    1 rosas    user       15993 Mar 15 02:53 duksor.wrl
-rw-r--r--    1 rosas    user       26911 Mar 15 02:54 dumlec.wrl
-rw-r--r--    1 rosas    user       23386 Mar 15 02:54 felsoe.wrl
-rw-r--r--    1 rosas    user        4000 May 19 10:18 fig.confs.gif
-rw-r--r--    1 rosas    user        4789 May 13 14:31 fig.copo.gif
-rw-r--r--    1 rosas    user        4142 May 13 14:31 fig.cp2o.gif
-rw-r--r--    1 rosas    user        4624 May 13 16:04 fig.crystals.gif
-rw-r--r--    1 rosas    user        4349 May 13 14:31 fig.hcpo.gif
-rw-r--r--    1 rosas    user        3991 May 13 14:31 fig.opo.gif
-rw-r--r--    1 rosas    user        3795 May 13 14:31 fig.pc.gif
-rw-r--r--    1 rosas    user        3817 May 13 14:31 fig.po.gif
-rw-r--r--    1 rosas    user        4658 Jun 12 15:27 fig.profiles.gif
-rw-r--r--    1 rosas    user       13587 Mar 15 02:54 zaysib.wrl

dissertation/methylphosp/Abinitio:
total 303
-rw-r--r--    1 rosas    user       17096 Jun 17 11:14 AngleCP2O.txt
-rw-r--r--    1 rosas    user       19003 Jun 17 11:14 AngleOPO.txt
-rw-r--r--    1 rosas    user       12499 Jun 17 11:14 BondPC.txt
-rw-r--r--    1 rosas    user        9487 Jun 17 11:14 BondPO.txt
-rw-r--r--    1 rosas    user        1958 Jun 17 11:14 CP1O2angle.txt
-rw-r--r--    1 rosas    user       10562 Jun 17 11:14 CP1Oangle.txt
-rw-r--r--    1 rosas    user       59929 Jun 17 11:14 TorCOPO.txt
-rw-r--r--    1 rosas    user       21441 Jun 17 11:14 TorHCPO.txt
-rw-r--r--    1 rosas    user        1014 Jun 17 11:14 diMephopGM.txt

dissertation/methylphosp/PDB:
total 54
-rw-r--r--    1 rosas    user        4491 Mar 15 02:48 cegxuh.pdb
-rw-r--r--    1 rosas    user        4308 Mar 15 02:48 duksor.pdb
-rw-r--r--    1 rosas    user        7539 Mar 15 02:49 dumlec.pdb
-rw-r--r--    1 rosas    user        6677 Mar 15 02:49 felsoe.pdb
-rw-r--r--    1 rosas    user        3508 Mar 15 02:47 zaysib.pdb

dissertation/morpholinium:
total 113
drwxr-xr-x    2 rosas    user         512 Jun 17 11:12 MOD
-rw-r--r--    1 rosas    user        3762 May  1 14:18 TableDiMeMorpholGas.html
-rw-r--r--    1 rosas    user        3635 May  1 14:20 TableDiMeMorpholWat.html
-rw-r--r--    1 rosas    user       13510 May 11 17:36 TableMeOHMorpholGas.html
-rw-r--r--    1 rosas    user       13489 May  1 14:24 TableMeOHMorpholWat.html
-rw-r--r--    1 rosas    user        3031 May  1 13:46 TableMorpholGas.html
-rw-r--r--    1 rosas    user        3655 May  1 14:13 TableMorpholWat.html
-rw-r--r--    1 rosas    user        4232 May  1 14:22 TableSMeMorpholGas.html
-rw-r--r--    1 rosas    user        4452 May  1 14:23 TableSMeMorpholWat.html
-rw-r--r--    1 rosas    user         607 Apr  3 12:04 fig.MeOHtags.gif
-rw-r--r--    1 rosas    user         497 Apr  3 11:42 fig.Morphtags.gif
-rw-r--r--    1 rosas    user         539 Apr  3 11:47 fig.StriMetags.gif
-rw-r--r--    1 rosas    user         440 Mar  4 16:34 fig.morph.gif
-rw-r--r--    1 rosas    user         583 May 19 12:25 fig.savle97.gif
-rw-r--r--    1 rosas    user         527 Apr  3 11:57 fig.tetraMetags.gif

dissertation/morpholinium/MOD:
total 1830
-rw-r--r--    1 rosas    user       58800 Jun 17 11:11 DiMeMorphGas.out
-rw-r--r--    1 rosas    user       76314 Jun 17 11:11 DiMeMorphWat.out
-rw-r--r--    1 rosas    user      384203 Jun 17 11:11 MeOHMorphGas.out
-rw-r--r--    1 rosas    user      224436 Jun 17 11:11 MeOHMorphWat.out
-rw-r--r--    1 rosas    user       34813 Jun 17 11:11 MorphGas.out
-rw-r--r--    1 rosas    user       43515 Jun 17 11:11 MorphWat.out
-rw-r--r--    1 rosas    user       55895 Jun 17 11:11 SMeMorphGas.out
-rw-r--r--    1 rosas    user       57159 Jun 17 11:11 SMeMorphWat.out

dissertation/phosphacinium:
total 1575
drwxr-xr-x    2 rosas    user         512 Jun 17 11:07 MOD
drwxr-xr-x    2 rosas    user         512 Jun 17 10:00 MOL
drwxr-xr-x    2 rosas    user        1024 Jun 17 10:00 PDB
-rw-r--r--    1 rosas    user       21169 May  1 14:35 TableCisMedioxPGas.html
-rw-r--r--    1 rosas    user       22816 May  1 14:35 TableCisMedioxPWat.html
-rw-r--r--    1 rosas    user       28178 May  1 14:36 TableDiMePGas.html
-rw-r--r--    1 rosas    user       41551 Jun 17 10:52 TableDiMePWat.html
-rw-r--r--    1 rosas    user       20393 May 10 11:24 TableDioxPGas.html
-rw-r--r--    1 rosas    user       30599 May  8 20:27 TableDioxPWat.html
-rw-r--r--    1 rosas    user       29038 May  1 14:40 TableTransMedioxPGas.html
-rw-r--r--    1 rosas    user       37001 Jun 17 11:00 TableTransMedioxPWat.html
-rw-r--r--    1 rosas    user       13903 May 16 20:25 bb1PW2.wrl
-rw-r--r--    1 rosas    user       14854 Jun 13 10:44 bb1PW4.wrl
-rw-r--r--    1 rosas    user       13751 May 16 20:27 bb2PW2.wrl
-rw-r--r--    1 rosas    user       14818 May 16 21:40 bb2PW4.wrl
-rw-r--r--    1 rosas    user       14764 May 16 21:38 bbPW3.wrl
-rw-r--r--    1 rosas    user       13665 May 26 11:18 bc1P2.wrl
-rw-r--r--    1 rosas    user       15785 Jun 13 10:45 bc1P5.wrl
-rw-r--r--    1 rosas    user       13695 May 16 20:28 bc1PW2.wrl
-rw-r--r--    1 rosas    user       14847 May 16 21:36 bc1PW3.wrl
-rw-r--r--    1 rosas    user       14860 May 16 21:37 bc1PW4.wrl
-rw-r--r--    1 rosas    user       13653 May 16 22:40 bc2P2.wrl
-rw-r--r--    1 rosas    user       15785 Jun 16 15:47 bc2P5.wrl
-rw-r--r--    1 rosas    user       13702 May 16 20:32 bc2PW2.wrl
-rw-r--r--    1 rosas    user       14796 May 16 21:36 bc2PW3.wrl
-rw-r--r--    1 rosas    user       14924 May 16 21:37 bc2PW4.wrl
-rw-r--r--    1 rosas    user       14873 May 16 22:55 bcP3.wrl
-rw-r--r--    1 rosas    user       14860 Jun 13 10:47 bcP4.wrl
-rw-r--r--    1 rosas    user         489 May 16 10:42 fig.bb1PW2.gif
-rw-r--r--    1 rosas    user         527 May 16 11:34 fig.bb1PW4.gif
-rw-r--r--    1 rosas    user         457 May 16 10:42 fig.bb2PW2.gif
-rw-r--r--    1 rosas    user         519 May 16 11:29 fig.bb2PW4.gif
-rw-r--r--    1 rosas    user         524 May 16 11:21 fig.bbPW3.gif
-rw-r--r--    1 rosas    user         451 May 15 16:02 fig.bc1P2.gif
-rw-r--r--    1 rosas    user         530 May 16 14:38 fig.bc1P5.gif
-rw-r--r--    1 rosas    user         446 May 16 10:45 fig.bc1PW2.gif
-rw-r--r--    1 rosas    user         477 May 16 11:15 fig.bc1PW3.gif
-rw-r--r--    1 rosas    user         487 May 16 11:39 fig.bc1PW4.gif
-rw-r--r--    1 rosas    user         434 May 15 16:05 fig.bc2P2.gif
-rw-r--r--    1 rosas    user         521 May 16 14:37 fig.bc2P5.gif
-rw-r--r--    1 rosas    user         437 May 16 10:47 fig.bc2PW2.gif
-rw-r--r--    1 rosas    user         482 May 16 11:14 fig.bc2PW3.gif
-rw-r--r--    1 rosas    user         481 May 16 11:44 fig.bc2PW4.gif
-rw-r--r--    1 rosas    user         525 May 16 13:58 fig.bcP3.gif
-rw-r--r--    1 rosas    user         517 May 16 14:06 fig.bcP4.gif
-rw-r--r--    1 rosas    user         695 Mar 25 01:16 fig.cis.gif
-rw-r--r--    1 rosas    user         728 Mar 25 01:25 fig.diMeP.gif
-rw-r--r--    1 rosas    user         827 Apr  3 14:05 fig.example.gif
-rw-r--r--    1 rosas    user         591 Feb  8 23:03 fig.phosp.gif
-rw-r--r--    1 rosas    user         670 Mar 18 22:59 fig.phospTab.gif
-rw-r--r--    1 rosas    user         522 May 16 13:39 fig.tb1P2.gif
-rw-r--r--    1 rosas    user         497 May 16 14:11 fig.tb1P4.gif
-rw-r--r--    1 rosas    user         570 May 16 14:44 fig.tb1P5.gif
-rw-r--r--    1 rosas    user         583 May 16 13:21 fig.tb1PW5.gif
-rw-r--r--    1 rosas    user         516 May 16 13:37 fig.tb2P2.gif
-rw-r--r--    1 rosas    user         536 May 16 14:28 fig.tb2P4.gif
-rw-r--r--    1 rosas    user         552 May 16 14:48 fig.tb2P5.gif
-rw-r--r--    1 rosas    user         601 May 16 13:24 fig.tb2PW5.gif
-rw-r--r--    1 rosas    user         555 May 16 11:07 fig.tbPW3.gif
-rw-r--r--    1 rosas    user         461 May 15 16:13 fig.tbc1P2.gif
-rw-r--r--    1 rosas    user         509 May 16 14:02 fig.tbc1P4.gif
-rw-r--r--    1 rosas    user         460 May 15 16:11 fig.tbc2P2.gif
-rw-r--r--    1 rosas    user         519 May 16 14:17 fig.tbc2P4.gif
-rw-r--r--    1 rosas    user         534 May 16 14:51 fig.tbcP5.gif
-rw-r--r--    1 rosas    user         497 May 16 14:08 fig.tc1P4.gif
-rw-r--r--    1 rosas    user         511 May 16 14:20 fig.tc2P4.gif
-rw-r--r--    1 rosas    user         477 May 16 13:46 fig.tcP2.gif
-rw-r--r--    1 rosas    user         504 May 16 13:51 fig.tcP3.gif
-rw-r--r--    1 rosas    user         529 May 16 14:31 fig.tcP5.gif
-rw-r--r--    1 rosas    user         730 Mar 25 01:12 fig.trans.gif
-rw-r--r--    1 rosas    user       13780 May 16 22:50 tb1P2.wrl
-rw-r--r--    1 rosas    user       14814 Jun 13 10:47 tb1P4.wrl
-rw-r--r--    1 rosas    user       15871 Jun 13 10:49 tb1P5.wrl
-rw-r--r--    1 rosas    user       15969 May 16 21:42 tb1PW5.wrl
-rw-r--r--    1 rosas    user       13732 May 16 22:53 tb2P2.wrl
-rw-r--r--    1 rosas    user       14881 Jun 13 10:50 tb2P4.wrl
-rw-r--r--    1 rosas    user       15844 Jun 13 10:50 tb2P5.wrl
-rw-r--r--    1 rosas    user       15815 May 16 21:43 tb2PW5.wrl
-rw-r--r--    1 rosas    user       14900 May 16 21:36 tbPW3.wrl
-rw-r--r--    1 rosas    user       13678 May 16 22:42 tbc1P2.wrl
-rw-r--r--    1 rosas    user       14853 May 16 23:00 tbc1P4.wrl
-rw-r--r--    1 rosas    user       13697 May 16 22:41 tbc2P2.wrl
-rw-r--r--    1 rosas    user       14857 Jun 13 10:52 tbc2P4.wrl
-rw-r--r--    1 rosas    user       15826 Jun 13 10:53 tbcP5.wrl
-rw-r--r--    1 rosas    user       14841 Jun 13 10:54 tc1P4.wrl
-rw-r--r--    1 rosas    user       14813 Jun 13 10:57 tc2P4.wrl
-rw-r--r--    1 rosas    user       13635 May 16 22:54 tcP2.wrl
-rw-r--r--    1 rosas    user       14910 May 16 22:57 tcP3.wrl
-rw-r--r--    1 rosas    user       15871 Jun 13 10:56 tcP5.wrl

dissertation/phosphacinium/MOD:
total 2564
-rw-r--r--    1 rosas    user      117723 Jun 17 11:05 CisMeDioxTotGas.out
-rw-r--r--    1 rosas    user      127314 Jun 17 11:06 CisMedioxTotWat.out
-rw-r--r--    1 rosas    user      157966 Jun 17 11:05 DiMeTotGas.out
-rw-r--r--    1 rosas    user      234647 Jun 17 11:06 DiMetotalWat.out
-rw-r--r--    1 rosas    user      120205 Jun 17 11:05 DioxTotGas.out
-rw-r--r--    1 rosas    user      208927 Jun 17 11:06 DioxTotWat.out
-rw-r--r--    1 rosas    user      173618 Jun 17 11:05 TransMeDioxTotGas.out
-rw-r--r--    1 rosas    user      170490 Jun 17 11:06 TransMeDioxTotWat.out

dissertation/phosphacinium/MOL:
total 139
-rw-r--r--    1 rosas    user        2019 May 27 13:56 bb1PW2.mol
-rw-r--r--    1 rosas    user        2223 May 27 13:56 bb1PW4.mol
-rw-r--r--    1 rosas    user        2019 May 27 13:56 bb2PW2.mol
-rw-r--r--    1 rosas    user        2223 May 27 13:56 bb2PW4.mol
-rw-r--r--    1 rosas    user        2222 May 27 13:56 bbPW3.mol
-rw-r--r--    1 rosas    user        2018 May 27 13:56 bc1P2.mol
-rw-r--r--    1 rosas    user        2019 May 27 13:56 bc1PW2.mol
-rw-r--r--    1 rosas    user        2223 May 27 13:56 bc1PW3.mol
-rw-r--r--    1 rosas    user        2223 May 27 13:56 bc1PW4.mol
-rw-r--r--    1 rosas    user        2018 May 27 13:56 bc2P2.mol
-rw-r--r--    1 rosas    user        2019 May 27 13:56 bc2PW2.mol
-rw-r--r--    1 rosas    user        2223 May 27 13:56 bc2PW3.mol
-rw-r--r--    1 rosas    user        2223 May 27 13:56 bc2PW4.mol
-rw-r--r--    1 rosas    user        2221 May 27 13:56 bcP3.mol
-rw-r--r--    1 rosas    user        2221 May 27 13:56 bcP4.mol
-rw-r--r--    1 rosas    user        2018 May 27 13:56 tb1P2.mol
-rw-r--r--    1 rosas    user        2222 May 27 13:56 tb1P4.mol
-rw-r--r--    1 rosas    user        2427 May 27 13:56 tb1PW5.mol
-rw-r--r--    1 rosas    user        2018 May 27 13:56 tb2P2.mol
-rw-r--r--    1 rosas    user        2222 May 27 13:56 tb2P4.mol
-rw-r--r--    1 rosas    user        2427 May 27 13:56 tb2PW5.mol
-rw-r--r--    1 rosas    user        2222 May 27 13:56 tbPW3.mol
-rw-r--r--    1 rosas    user        2019 May 27 13:56 tbc1P2.mol
-rw-r--r--    1 rosas    user        2019 May 27 13:56 tbc2P2.mol
-rw-r--r--    1 rosas    user        2223 May 27 13:56 tbc2P4.mol
-rw-r--r--    1 rosas    user        2222 May 27 13:56 tbcP4.mol
-rw-r--r--    1 rosas    user        2222 May 27 13:56 tc1P4.mol
-rw-r--r--    1 rosas    user        2222 May 27 13:56 tc2P4.mol
-rw-r--r--    1 rosas    user        2017 May 27 13:56 tcP2.mol
-rw-r--r--    1 rosas    user        2221 May 27 13:56 tcP3.mol

dissertation/phosphacinium/PDB:
total 285
-rw-r--r--    1 rosas    user        3508 May 16 15:56 bb1PW2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:17 bb1PW4.pdb
-rw-r--r--    1 rosas    user        3508 May 16 15:57 bb2PW2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:18 bb2PW4.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:16 bbPW3.pdb
-rw-r--r--    1 rosas    user        3508 May 16 21:51 bc1P2.pdb
-rw-r--r--    1 rosas    user        4138 Jun 12 15:32 bc1P5.pdb
-rw-r--r--    1 rosas    user        3508 May 16 15:58 bc1PW2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:15 bc1PW3.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:18 bc1PW4.pdb
-rw-r--r--    1 rosas    user        3508 May 16 21:51 bc2P2.pdb
-rw-r--r--    1 rosas    user        4138 Jun 12 15:32 bc2P5.pdb
-rw-r--r--    1 rosas    user        3508 May 16 15:58 bc2PW2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:16 bc2PW3.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:19 bc2PW4.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:56 bcP3.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:58 bcP4.pdb
-rw-r--r--    1 rosas    user        3508 May 16 21:54 tb1P2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 22:03 tb1P4.pdb
-rw-r--r--    1 rosas    user        4138 Jun 12 15:32 tb1P5.pdb
-rw-r--r--    1 rosas    user        4138 May 16 21:20 tb1PW5.pdb
-rw-r--r--    1 rosas    user        3508 May 16 21:53 tb2P2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 22:05 tb2P4.pdb
-rw-r--r--    1 rosas    user        4138 Jun 12 15:32 tb2P5.pdb
-rw-r--r--    1 rosas    user        4138 May 16 21:20 tb2PW5.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:15 tbPW3.pdb
-rw-r--r--    1 rosas    user        3508 May 16 21:52 tbc1P2.pdb
-rw-r--r--    1 rosas    user        3508 May 16 21:52 tbc2P2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 22:03 tbc2P4.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:57 tbcP4.pdb
-rw-r--r--    1 rosas    user        4138 Jun 12 15:33 tbcP5.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:59 tc1P4.pdb
-rw-r--r--    1 rosas    user        4138 Jun 12 15:31 tc1P5.pdb
-rw-r--r--    1 rosas    user        3823 May 16 22:04 tc2P4.pdb
-rw-r--r--    1 rosas    user        3508 May 16 21:55 tcP2.pdb
-rw-r--r--    1 rosas    user        3823 May 16 21:56 tcP3.pdb

dissertation/reviews:
total 105
-rw-r--r--    1 rosas    user         573 Feb 21 00:20 fig.2266dioxo.gif
-rw-r--r--    1 rosas    user         516 Feb 21 00:20 fig.22dioxo.gif
-rw-r--r--    1 rosas    user         530 Feb 21 00:20 fig.66dioxo.gif
-rw-r--r--    1 rosas    user         740 Mar 15 01:07 fig.HAC.gif
-rw-r--r--    1 rosas    user         595 Feb 26 01:18 fig.aminocarn.gif
-rw-r--r--    1 rosas    user         842 Feb 26 01:56 fig.anderson951.gif
-rw-r--r--    1 rosas    user         980 May 14 10:02 fig.anderson952.gif
-rw-r--r--    1 rosas    user        1774 Mar  4 15:45 fig.anomeric.gif
-rw-r--r--    1 rosas    user        2302 Feb 10 16:10 fig.b.gif
-rw-r--r--    1 rosas    user        2486 Feb 10 16:09 fig.bb.gif
-rw-r--r--    1 rosas    user        2304 Feb 10 16:09 fig.bc.gif
-rw-r--r--    1 rosas    user        2416 Feb 10 16:10 fig.c.gif
-rw-r--r--    1 rosas    user        2539 Feb 10 16:10 fig.cc.gif
-rw-r--r--    1 rosas    user        3852 Mar  3 14:56 fig.crown.gif
-rw-r--r--    1 rosas    user         411 May 14 11:36 fig.dioxo.gif
-rw-r--r--    1 rosas    user        2362 Feb 23 00:42 fig.fritz63.gif
-rw-r--r--    1 rosas    user        1231 May 22 14:09 fig.gandour93.gif
-rw-r--r--    1 rosas    user        2714 Apr 15 11:30 fig.hydrolysis2.gif
-rw-r--r--    1 rosas    user         743 May 14 10:00 fig.kumaravel94.gif
-rw-r--r--    1 rosas    user         414 May 14 11:35 fig.oxo.gif
-rw-r--r--    1 rosas    user         581 Feb 26 01:21 fig.saeed93.gif
-rw-r--r--    1 rosas    user         585 Mar  4 16:39 fig.saeed94.gif
-rw-r--r--    1 rosas    user        1157 Apr 15 10:24 fig.sun95.gif
-rw-r--r--    1 rosas    user        2426 Feb 10 16:11 fig.tb.gif
-rw-r--r--    1 rosas    user        2601 Feb 10 16:20 fig.tbc-1.gif
-rw-r--r--    1 rosas    user        2639 Feb 10 16:10 fig.tbc1.gif
-rw-r--r--    1 rosas    user        2500 Feb 10 16:11 fig.tc.gif
-rw-r--r--    1 rosas    user        2446 Feb 10 16:11 fig.tcc.gif
-rw-r--r--    1 rosas    user         432 May 14 11:34 fig.tetraoxo.gif
-rw-r--r--    1 rosas    user         420 May 14 11:36 fig.trioxo.gif

(footnotes)

[FCHIME] NOTE: The SGI version of Chime will not work reading molfiles in a local filesystem, only through a network.


[Title] [Ded] [Ack] [1] [2] [3] [4] [5] [6] [7] [Bib] [A] [B] [C] [D] [E] [Vita]

ETD-ML Version 0.9.7a (beta) http://etd.vt.edu/etd-ml/ Thu Jul 3 17:54:17 1997