Tuesday, March 22, 2011
2:30PM - 2:42PM
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L41.00001: Temperature and Lengthscale Dependence of Solvophobic Solvation in a Water-like Liquid
John Dowdle, Peter Rossky
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Tuesday, March 22, 2011
2:42PM - 2:54PM
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L41.00002: Effects of Physical Confinement on the Hysteresis between Melting and Freezing Temperatures of Decanol
Samuel Amanuel, Jargalsaikhan Dulmaa, Amer Khraisat
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Tuesday, March 22, 2011
2:54PM - 3:06PM
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L41.00003: Evaluating the Liquid Liquid Phase Transition Hypothesis of Supercoooled Water
David Limmer, David Chandler
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Tuesday, March 22, 2011
3:06PM - 3:18PM
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L41.00004: Anomalous lattice parameter isotope-shift in hexagonal ice Ih from first principle calculations
Bet\"{u}l Pamuk, Marivi Fernandez-Serra, Philip Allen
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Tuesday, March 22, 2011
3:18PM - 3:30PM
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L41.00005: Local effects in the X-ray absorption spectrum of salt water
Eric Schwegler, Heather Kulik, Nicola Marzari, Alfredo Correa, David Prendergast, Giulia Galli
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Tuesday, March 22, 2011
3:30PM - 3:42PM
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L41.00006: Nuclear momentum distribution and potential energy surface in hexagonal ice
Lin Lin, Joseph Morrone, Roberto Car, Michele Parrinello
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Tuesday, March 22, 2011
3:42PM - 3:54PM
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L41.00007: The quantum nature of the hydrogen bond: insight from path-integral molecular dynamics
Brent Walker, Xin-Zheng Li, Angelos Michaelides
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Tuesday, March 22, 2011
3:54PM - 4:06PM
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L41.00008: Hydration phase diagram for BaO terminated BaTiO$_3$
John Mark Martirez, Wissam Al-Saidi, Andrew Rappe
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Tuesday, March 22, 2011
4:06PM - 4:18PM
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L41.00009: ABSTRACT WITHDRAWN
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Tuesday, March 22, 2011
4:18PM - 4:30PM
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L41.00010: Topological reaction coordinates to explore the structure of atomic clusters and organic molecule isomers from first principles
Fabio Pietrucci, Wanda Andreoni
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Tuesday, March 22, 2011
4:30PM - 4:42PM
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L41.00011: Transport through a quantum dot with excitonic dot-lead coupling
Florian Elste, David R. Reichman, Andrew J. Millis
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Tuesday, March 22, 2011
4:42PM - 4:54PM
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L41.00012: Spectroscopic and Theoretical Investigations of the Potential Energy Surfaces of Molecules with Intramolecular $\pi $-type Hydrogen Bonding
Esther Ocola, Hee-Won Shin, Abdulaziz Al-Saadi, Jaan Laane
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Tuesday, March 22, 2011
4:54PM - 5:06PM
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L41.00013: Raman Spectra and the Potential Energy Function for the Internal Rotation of 1,3-Butadiene and its Isotopomers
Jaan Laane, Praveenkumar Boopalachandran, Norman Craig
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Tuesday, March 22, 2011
5:06PM - 5:18PM
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L41.00014: Transition and Excited States of 1,1'-azo-bis-1,2,3-triazole
Vladimir Goncharov, Olga Goncharova, Kalman Varga
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Tuesday, March 22, 2011
5:18PM - 5:30PM
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L41.00015: Importance of Electronic Relaxation for Inter-Coulombic Decay in Aqueous Systems
David Prendergast, Craig P. Schwartz, Richard J. Saykally, Shervin Fatehi, Keith V. Lawler, C. William McCurdy
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