A Viste Home page
Chem Home page
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Aimee Edwin
Steve Moeckly
Deanna Donohoue
Crystal Cunningham
Andrew Aspaas
Kari Lunder Stone
Teresa McConville
Per Haakon
Thrane-Nielsen
Mark Helberg
April Bobbie
Bill Delfs
Rosina Hendrickson
Ethan Englund
Acknowledgments
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Recent
Undergraduate Student-Faculty Research
Activity
Students of
Arlen Viste and Gary
Earl
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Acetylcholinesterase, 2ACE |
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Steven Moeckly
Multinuclear NMR
13C NMR and Quantum Chemistry
Mentors: Arlen Viste and Gary Earl
Computational tools:
Gaussian 98W
HyperChem
Anasazi EFT-60 NMR
Augustana B.A. 2000
Graduate school
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![[PF6]- ion](PF6.jpg)
Hexafluorophosphate ion
PF6-
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Multinuclear
NMR of Na[PF6](aq)
19F I=1/2 56.46
MHz
31P I=1/2 24.292
MHz
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NaPF6(aq) 19F NMR spectrum |

NaPF6(aq) 31P NMR spectrum |
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Deanna Donohoue
Raman Spectroscopy and Quantum Chemistry
Methane Hydrates
Mentors: Arlen Viste and Gary Earl
Computational tools:
Gaussian 98W
HyperChem
Ocean Optics R2000 Raman
Spectrometer
Augustana B.A. Dec 2000
Mission service at
Santo Tomas La Union, Guatemala
then Graduate school
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here.
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Crystal Cunningham
The Iron - Nickel Hydrogenase
Mentors: Arlen Viste and Gary Earl
Computational tools:
Jaguar 4
SuSE Linux
HyperChem
gOpenMol
Augustana B.A. 2001
Medical School
University of North Dakota
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The bridging hydrogen (a unique place for the
hydrogen) moves
to eventually protonate the Sulfur ligand of the Nickel.
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Andrew Aspaas
MacGAMESS
Mentor: Arlen Viste
Computational tools:
MacGAMESS
MacMolPlt
Mac G4
Augustana B.A. 2001
Graduate School in Chemistry
University of Minnesota
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NH3 HOMO
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NH3 Molecular Electrostatic Potential
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Kari Lunder Stone
Computational Chemistry
of the Porphyrin
Ring
[O3PSO3]3-
and Related Ions
Poster Presentation at the
Finnish Symposium
on Quantum Chemistry
June 2001
Mentor: Arlen Viste
Computational tools:
Jaguar 4
SuSE Linux
Gaussian 98W
HyperChem
gOpenMol
Augustana B.A. 2001
Graduate School in Chemistry
Pennsylvania State University
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Iron porphyrin
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Iron porphyrin electron density
with electrostatic potential
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Fe(porph)O2 LUMO
Note resemblance to O2 HOMO
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Fe(Porph) LUMO |
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Graphite 2D layer band structure
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Starch-iodine complex
modeled in HyperChem and gOpenMol
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Uniform I3 chain band structure
Peirls distortion is expected to open band gap
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Uniform I3 chain
Corresponding density of states (DOS)
and crystal orbital overlap (COOP)
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Per Haakon Thane-Nielsen
Implementing and Exploring WebMO
as a Web-Based Undergraduate Quantum Chemistry Environment
Mentor: Arlen Viste
Computational tools:
WebMO
GAMESS
Gaussian 94
Unix (Aix 4.3)
Molekel
Augustana B.A. 2001
Professional career goal:
Computer Science
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Allene H2C=C=CH2 IR spectrum
calculated by Gaussian 94 in WebMO
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Allene H2C=C=CH2 normal mode
calculated at 2214 cm-1 by Gaussian 94
in WebMO
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Allene H2C=C=CH2 electron density
with electrostatic potential
displayed by Molekel from WebMO
Gaussian 94 output file
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Mark Helberg
Spectroscopy and
Quantum Chemistry
Summer
2001
Mentors: Arlen Viste and Gary Earl
Computational tools:
WebMO
Gaussian 94
Unix (Aix 4.3)
Augustana Class of 2002
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April
Bobbie
Emf, Free Energy, pH,
and Graphical Representation
Spring
2002
Mentor: Arlen Viste
Augustana B.A. 2002
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Bill Delfs
ADF Implementation
Interim
and Spring 2002
Mentor: Arlen Viste
Computational tools:
ADF
Gaussian 98
Augustana B.A. 2002
Chemical Engineering
University of Minnesota
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Rosina Barbara Flasch
Hendrickson
Phamaceuticals, Binding Sites, and Pharmacological
Effect
Interim
and Spring 2002
Mentor: Arlen Viste
Computational tools:
HyperChem
Augustana B.A. 2002
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Acknowledgments
Support from the Augustana Bush
Faculty Development Grant during Summer 2001 is gratefully acknowledged.
The leadership of Sharon Gray
has been very helpful, in organizing and encouraging a Cell Group concerned
with developing web pages related to student-faculty research. This web
page is one example. To see the umbrella page for the Cell Group, click
here.
In like manner, we deeply appreciate the support and encouragement
of Augustana College, the Department
of Chemistry, colleagues, and funding sources for computer hardware
and software and chemical instrumentation. This includes the Roland Wright
Chemistry Endowment, the National Science Foundation, and other donors.
The excellent work of the Information
Systems staff is also key to any endeavor such as this.
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