Thursday, October 19, 2006: 1:30 PM-5:30 PM
124 (American InterContinental University)
General Session B
Organizer:	Christy Landes
1:30 PM	35		Stability Analysis of Self-Assembled Monolayer Patterns Shaowen Hu
1:45 PM	36		Supersymmetric Langevin equation to explore free energy landscapes Alessandro Mossa, Cecilia Clementi
2:00 PM	37		Small Basis Set Density Functional Thermochemistry Edward N. Brothers, Gustavo E. Scuseria
2:15 PM	38		Mutual Enhancement, Reluctant Co-nucleation or Multiple Channels: An Exposé on the Nucleation Mechanisms of Binary Mixtures Ricky Nellas, Matthew McKenzie, Bin Chen
2:30 PM	39		Molecular Dynamics Simulation of Thermo-mechanical Properties in Ultra-thin PMMA Films. Phase I: Bulk Properties Carlos A. Silva, Ed Marotta, Tahir Cagin
2:45 PM	40		Quantum hydrodynamics and the thermodynamics of large atomic clusters Sean W. Derrickson, Eric R. Bittner
3:00 PM			Break
3:30 PM	41		Computational Studies on µ- and µ4-η2- Coordination Properties of A2H2 (A=C, Si, Ge, Sn and Pb) Ligands in Organometallic Chemistry G.N. Srinivas, M. Schwartz
3:45 PM	42		Calculations of Coulombic Coupling Between Electronic Transitions of DNA Base Pairs Arkadiusz Czader
4:00 PM	43		Probing the conformational transitions of biomolecules: cluster-based simulations Samuel Keasler, Ricky Nellas, Bin Chen
4:15 PM	44		Direct Dynamics Simulations using Hessian-Based Predictor-Corrector Integrators Upakarasamy Lourderaj, William L. Hase, Kihyung Song, Yu Zhuang
4:30 PM	45		Ab initio Direct Dynamics Trajectory Study of the F- + CH3OOH Reaction José G. López, Grigoriy Vayner, Upakarasamy Lourderaj, Srirangam V. Addepalli, William L. Hase, Theresa L. Windus, Wibe A. DeJong
4:45 PM	46		Density Functional Theory Study of Metal-Nitride Ceramics Roy A. Araujo, Oscar Ojeda, Mustafa Uludogan, Tahir Cagin, Haiyan Wang

Back to The 62nd Southwest Regional Meeting (October 19-22 2006)