Summary of

MoleCVUE meeting

May 30 - June 1, 2007

Attendees:

Josh Beri
Moravian College (student)
Vincent DeTuri
Ithaca College
Stephen Dunham
Moravian College
James Foresman
York College of Pennsylvania
Richard Hempel
Sarah Lawrence College (student)
Ryan Hinrichs Drew University
Gary Hoffman
Elizabethtown College
Casey Jackson
Moravian College (student)
Dan Libby
Moravian College
Clyde Metz
College of Charleston
Semeret Munie
Ithaca College (student)
Neysa Nevins
Glaxo-Smith-Kline
Karl Oberholser
Messiah College
John Ranck
Elizabethtown College
Kevin Range
Lock Haven University of Pennsylvania
Carl Salter
Moravian College
Lorena Tribe
Penn State Berks
Jeff Wolbach
Albright College

Software discussed:

Molslides
Tinker
ChemPad
PCModel
Gaussian
WebMO
R

Issues discussed:

Set up and use of Molslides
MD at surfaces
Computational Chemistry for Chemical Educators Workshops
Docking simulations
Use of ChemPad on tablet PC
High coordination compounds
Computations applied to rearrangement reactions
Computations applied to materials in the atmosphere
Laboratory exercises using PCModel and WebMO
Issues in the chemistry for non-majors course
Protonation of azulene
Set up and use of R, a statistical package