Session Index

Session L41: Condensed Phase Dynamics and Structure

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Abstracts
Sponsoring Units: DCP
Chair: David Nesbitt, University of Colorado at Boulder
Room: A115/117


Tuesday, March 22, 2011
2:30PM - 2:42PM

 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

 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

 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

 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

 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

 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

 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

 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

 L41.00009: ABSTRACT WITHDRAWN


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Tuesday, March 22, 2011
4:18PM - 4:30PM

 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

 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

 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

 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

 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

 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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