For the number crunchers in the group....
-
Myke Dronez
- Posts: 463
- Joined: Sat Aug 11, 2007 2:52 am
-
heidiramma
- Posts: 738
- Joined: Sun Jan 07, 2007 2:46 pm
This study was started in 1999 it has thus far generated two papers. I am so happy to get this off my desk that I just had to tell someone. Thanks for being there for me. 
There are many charts and graphs and unlike most of my papers this one is in an open access journal, freely available online at:
http://www.beilstein-journals.org/bjoc/home/home.htm
http://www.beilstein-journals.org/bjoc/ ... 7-4-23.pdf
When molecules come out of the solution state into the crystalline state they experience a certain amount of deformation, or a change in conformation. Not always the most stable conformation in solution ends up in the crystal due to the crunch experienced by the molecules as a result of crystal packing. Certain arrangements in the crystalline state are better than others. At the molecular level, after putting two molecules together, if a center of inversion [http://www.queensu.ca/cloe/projects/pub ... /type4.htm]
is conserved packing more molecules together to form the crystal becomes more efficient.
One family of molecules that we found opposes inclusion of these inversion symmetric molecules in the crystal by not wanting to deform in a manner that allows them. Calculating the energies of these crystal state deformations allows us to indirectly calculate energetic differences between various crystal state packing motifs. We are also able to establish a tenuous relationship between the crystalline state conformation and the solution state conformation sometime close to the nucleation event.
Being able to gauge the molecular level crunch upon packing is elusive. We do this in a tangential manner in my most recent scientific paper. It was a 5.13c write and is probably a 5.13a read.
There are many charts and graphs and unlike most of my papers this one is in an open access journal, freely available online at:
http://www.beilstein-journals.org/bjoc/home/home.htm
http://www.beilstein-journals.org/bjoc/ ... 7-4-23.pdf
When molecules come out of the solution state into the crystalline state they experience a certain amount of deformation, or a change in conformation. Not always the most stable conformation in solution ends up in the crystal due to the crunch experienced by the molecules as a result of crystal packing. Certain arrangements in the crystalline state are better than others. At the molecular level, after putting two molecules together, if a center of inversion [http://www.queensu.ca/cloe/projects/pub ... /type4.htm]
is conserved packing more molecules together to form the crystal becomes more efficient.
One family of molecules that we found opposes inclusion of these inversion symmetric molecules in the crystal by not wanting to deform in a manner that allows them. Calculating the energies of these crystal state deformations allows us to indirectly calculate energetic differences between various crystal state packing motifs. We are also able to establish a tenuous relationship between the crystalline state conformation and the solution state conformation sometime close to the nucleation event.
Being able to gauge the molecular level crunch upon packing is elusive. We do this in a tangential manner in my most recent scientific paper. It was a 5.13c write and is probably a 5.13a read.
I stopped reading here: "...imidazolecarboxamidines".caribe wrote:This study was started in 1999 it has thus far generated two papers. I am so happy to get this off my desk that I just had to tell someone. Thanks for being there for me.
There are many charts and graphs and unlike most of my papers this one is in an open access journal, freely available online at:
http://www.beilstein-journals.org/bjoc/home/home.htm
http://www.beilstein-journals.org/bjoc/ ... 7-4-23.pdf
When molecules come out of the solution state into the crystalline state they experience a certain amount of deformation, or a change in conformation. Not always the most stable conformation in solution ends up in the crystal due to the crunch experienced by the molecules as a result of crystal packing. Certain arrangements in the crystalline state are better than others. At the molecular level, after putting two molecules together, if a center of inversion [http://www.queensu.ca/cloe/projects/pub ... /type4.htm]
is conserved packing more molecules together to form the crystal becomes more efficient.
One family of molecules that we found opposes inclusion of these inversion symmetric molecules in the crystal by not wanting to deform in a manner that allows them. Calculating the energies of these crystal state deformations allows us to indirectly calculate energetic differences between various crystal state packing motifs. We are also able to establish a tenuous relationship between the crystalline state conformation and the solution state conformation sometime close to the nucleation event.
Being able to gauge the molecular level crunch upon packing is elusive. We do this in a tangential manner in my most recent scientific paper. It was a 5.13c write and is probably a 5.13a read.
Experts learn more and more about less and less until eventually they know nothing at all (I remember that from somewhere). You better watch out Caribe before you fall completely off the rocker! Hirsuit monkeys are only step 1 man (and I'm sure I spelled hirsuit incorrectly, but so be it)
efil lanrete... i enjoy the sound, but in truth i find this seductively backward idea to be quite frightening
Ha ha Brent that was a fine day at the crag.
http://www.thefreedictionary.com/hirsute
http://www.thefreedictionary.com/hirsute
Crazy Hot Scale
"Oh, everything's too damned expensive these days. This bible cost 15 bucks! And talk about a preachy book! Everybody's a sinner! Except this guy." - Homer Simpson