Summary of

MoleCVUE meeting

May 28 - May 30, 2008

Attendees:

Vincent DeTuri
Ithaca College
Sean Eady
Ithaca College (student)
Akiko Fillinger
Ithaca College
Michael Haaf
Ithaca College
Gary Hoffman
Elizabethtown College
Janet Hunting
Ithaca College
Anna Larson
Ithaca College
Cole Lechleiter
Ithaca College (student)
Melissa Martin
Ithaca College (student)
Justin Mitsch
Elizabethtown College (student)
Lisa Morkowchuk
Moravian College (student)
Semeret Munie
Ithaca College (student)
Kevin Range
Lock Haven University of Pennsylvania
Carl Salter
Moravian College
Kelly Sowers
Ithaca College (student)
Scott Ulrich
Ithaca College
Jeff Wolbach
Albright College
Natalie Zedalis
Moravian College (student)

Software discussed:

Chimera
WebMO and JMOL
ChemPad and OrganicPad
Crystal Maker
Gaussian

Sessions:

Use of Chimera to study protein structures
Generating JMOL voxel files with WebMO
WebMO workshop
Better way to visualize atomic orbitals and formation of molecular orbitals in the classroom
ChemPad and OrganicPad to draw organic compounds
A pi*-solubility experiment for physical chemistry
Computational study of the ene mechanism in nicotinamide hydride-equivalent transfer
Math anxiety and math tools in physical chemistry
Use of CrystalMaker for visualizing crystals
Solvation experiments/calculations involving potassium nitrate and potassium acetate
Computations on sodium chloride and silver chloride
Calculations on doped titanium dioxide