Monday, June 30, 2008: 4:30 PM-6:30 PM
Emerald Grand Ballroom (Sheraton Burlington Hotel and Conference Center)
Computers In Chemistry Posters
Organizer:Fiona Case
Constructive Enumeration and Encoding of An Alkane-Series Dictionary Ordered by Side-Chain Complexity
J. Scott Davidson
Importance of Vibrational Zero-Point Energy to Relative Polymorph Energies for Hydrogen Bonded Species
Bruce Hudson, Sharon A. Rivera, Damian G. Allis
Computation of Deuterium Isotope Effects on Proton Chemical Shift for Hydrocarbons
Bruce Hudson, Damian G Allis, John Baldwin, Shelly James, Katherine Morgera, Daniel O'Leary
Docking Studies of Dipeptides to Metabotropic Glutamate Receptors
Sunanda Sukumar, Benjamin Woo, N. Sukumar, Arshad S. Kokardekar, Judith Klein-Seetharaman, Kalyan C. Tirupula
Structures and Thermochemical Properties of Methyl Sulfinic Acid and Methyl Sulfinic Methyl Ester and Radicals
Joseph W. Bozzelli, Anjani Gunturu
Enthalpy, Entropy, Heat Capacities, Internal Rotor Potentials and Bond Energies of Nitroalkanes and Alkyl Nitrites and Their Radicals
Yui Snitsiriwat, Suarwee, Rubik Asatryan, Joseph W. Bozzelli
Structural Requirements for the Post-Translational Green Fluorescent Protein Chromophore Formation
Alicia L. Morgan, Luisa A. Dickson, Marc Zimmer
Structural Investigation of KCa2Nb3O10 and Its Acidic Form HCa2Nb3O10- Using Density Functional Theory for Calculations of NMR Parameters
Jhashanath Adhikari, Luis J. Smith

Back to The Northeast Regional Meeting (NERM) (June 29 - July 2, 2008)