%PDF-1.4
%
1 0 obj
<<
/Title (Entering Modeling Space: An Apprenticeship in Molecular Modeling)
/Author (Carl Trindle)
/Creator (PDFCreator Version 1.2.2)
/ModDate (D:20130318015443+01'00')
/Subject (Twenty years ago computer modeling had made its first major impact on the chemists patterns of thought. Now it is prominent in research and graduate education, and has made its presence felt throughout the undergraduate curriculum. I describe two consultations with chemists specializing in synthesis, by which I intend to illustrate \(1\) attitudes of novices to the craft; \(2\) experiences in apprenticeship which include flights of depression, disillu-sion, and elation; and \(3\) changes in their judgment of computer modeling as they make it part of their armory of concepts and images. The examples treat aspects of the chemical system not easily incorporated into structural formulas \(chirality\) and even physical models \(relative energetics\), but which are of-fered in computer modeling systems with molecular mechanics or quantum mechanical energy estimators. On the way, we can arrive at a notion of the changing value of computer modeling, and its impact on the chemists frame of mind.)
/Keywords (molecular modeling; molecular mechanics; electronic structure; computer graphics; chemical education)
/Producer (GPL Ghostscript 9.02)
/CreationDate (D:20130318015204+01'00')
/PXCViewerInfo (PDF-XChange Viewer;2.5.200.0;Dec 14 2011;19:59:08;D:20130318015443+01'00')
>>
endobj
2 0 obj
<<
/Type /Catalog
/Pages 3 0 R
/Metadata 4 0 R
>>
endobj
3 0 obj
<<
/Kids [5 0 R 6 0 R 7 0 R 8 0 R 9 0 R 10 0 R 11 0 R 12 0 R 13 0 R 14 0 R 15 0 R 16 0 R 17 0 R 18 0 R 19 0 R 20 0 R]
/Type /Pages
/Count 16
>>
endobj
4 0 obj
<<
/Type /Metadata
/Length 5169
/Subtype /XML
>>
stream
GPL Ghostscript 9.02
()
2013-03-18T01:54:43+01:00
2013-03-18T01:52:04+01:00
PDFCreator Version 1.2.2
8fb86d5f-91c1-11e2-0000-9d1f07a431b1
8fb86d5f-91c1-11e2-0000-9d1f07a431b1
application/pdf
Entering Modeling Space: An Apprenticeship in Molecular Modeling
Carl Trindle
Twenty years ago computer modeling had made its first major impact on the chemist’s patterns of thought. Now it is prominent in research and graduate education, and has made its presence felt throughout the undergraduate curriculum. I describe two consultations with chemists specializing in synthesis, by which I intend to illustrate (1) attitudes of novices to the craft; (2) experiences in apprenticeship which include flights of depression, disillu-sion, and elation; and (3) changes in their judgment of computer modeling as they make it part of their armory of concepts and images. The examples treat aspects of the chemical system not easily incorporated into structural formulas (chirality) and even physical models (relative energetics), but which are of-fered in computer modeling systems with molecular mechanics or quantum mechanical energy estimators. On the way, we can arrive at a notion of the changing value of computer modeling, and its impact on the chemist’s frame of mind.
molecular modeling
molecular mechanics
electronic structure
computer graphics
chemical education
Copyright 1999 by HYLE and Carl Trindle
True
http://www.hyle.org
endstream
endobj
5 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 21 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 22 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
6 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 23 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 24 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
7 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 25 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 26 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
8 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 27 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 28 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
9 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 29 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 30 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
10 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 31 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 32 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
11 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 33 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 34 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
12 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 35 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 36 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
13 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 37 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 38 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
14 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 39 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 40 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
15 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 41 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 42 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
16 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 43 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 44 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
17 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 45 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 46 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
18 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 47 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 48 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
19 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 49 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 50 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
20 0 obj
<<
/Type /Page
/Parent 3 0 R
/Rotate 0
/Contents 51 0 R
/MediaBox [0 0 595 842]
/Resources <<
/Font 52 0 R
/ProcSet [/PDF /Text]
>>
>>
endobj
21 0 obj
<<
/Filter [/FlateDecode]
/Length 5424
>>
stream
x\[7rF^YcK%[Zky}7 %