Tuesday, March 4, 2014
11:15AM - 11:51AM
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G31.00001: Non-additivity of molecule-surface van der Waals potentials from force measurements
Invited Speaker:
Stefan Tautz
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Tuesday, March 4, 2014
11:51AM - 12:03PM
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G31.00002: Determination of Surface-Substrate Adsorption Energy usin the Exchange-Hole Dipole Moment
Matthew Christian, Alberto Otero de la Roza, Erin Johnson
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Tuesday, March 4, 2014
12:03PM - 12:15PM
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G31.00003: Trends in Adsorption Characteristics of Organic Molecules on Transition Metal Surfaces: Role of Surface Chemistry and van der Waals Interactions
Handan Yildirim, Abdelkader Kara
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Tuesday, March 4, 2014
12:15PM - 12:27PM
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G31.00004: Adsorption characteristics of Thiophene on Cu and Ni(100): role of van der Waals
Tomas Rojas, Jeronimo Matos, Abdelkader Kara
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Tuesday, March 4, 2014
12:27PM - 12:39PM
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G31.00005: The Effect of van der Waals Interactions on the Sexithiophene Adsorption on Ag(110)
Jeronimo Matos, Tomas Rojas, Abdelkader Kara
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Tuesday, March 4, 2014
12:39PM - 12:51PM
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G31.00006: Van der Waals quantum friction and fluctuation theorems
Diego Dalvit, Francesco Intravaia, Ryan Behunin
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Tuesday, March 4, 2014
12:51PM - 1:03PM
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G31.00007: Probe the Corrugation and Friction of Cu(111) toward Ne and Xe: First Principles Studies
Yanning Zhang, Virginio Bortolani, Ruqian Wu
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Tuesday, March 4, 2014
1:03PM - 1:15PM
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G31.00008: Water films on transition metal surfaces: A physical disclosure of adsorption energy
Guillem Revilla-L\'opez, Nuria L\'opez
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Tuesday, March 4, 2014
1:15PM - 1:27PM
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G31.00009: Probing Adsorption Interactions In Metal-Organic Frameworks Using X-ray Spectroscopy and Density Functional Theory
Walter Drisdell, Roberta Poloni, Thomas McDonald, Jeffrey Long, Berend Smit, Jeffrey Neaton, David Prendergast, Jeffrey Kortright
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Tuesday, March 4, 2014
1:27PM - 1:39PM
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G31.00010: Design of a metal-organic framework with enhanced back bonding for the separation of N2 and CH4
Kyuho Lee, William Isley, Allison Dzubak, Pragya Verma, Samuel Stoneburner, Li-Chiang Lin, Joshua Howe, Eric Bloch, Douglas Reed, Matthew Hudson, Craig Brown, Jeffrey Long, Jeffrey B. Neaton, Berend Smit, Christopher J. Cramer, Donald G. Truhlar, Laura Gagliardi
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Tuesday, March 4, 2014
1:39PM - 1:51PM
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G31.00011: First-Principles Prediction of Small Molecule Adsorption in MOF-74 Variants
Joshua Howe, Kyuho Lee, Li-Chiang Lin, Berend Smit, Jeffrey Neaton
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Tuesday, March 4, 2014
1:51PM - 2:03PM
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G31.00012: High-throughput screening of small-molecule adsorption in MOF-74
T. Thonhauser, P. Canepa
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Tuesday, March 4, 2014
2:03PM - 2:15PM
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G31.00013: The DeNO$_x$ process and NO$_2$ adsorption in MOF74
S. Zuluaga, T. Thonhauser, K. Tan, Y. Chabal
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