Monday, March 21, 2011
2:30PM - 3:06PM
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D31.00001: Rotational and vibrational excitations of van der Waals bonded hydrogen in nanoporous materials: calibrating first-principle calculations with experiments
Invited Speaker:
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Monday, March 21, 2011
3:06PM - 3:18PM
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D31.00002: CO2 Binding in Zeolitic Imidazolate Frameworks from First Principles Calculations
Keith Ray, David Olmsted, Ning He, Yao Houndonougbo, Brian Laird, Mark Asta
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Monday, March 21, 2011
3:18PM - 3:30PM
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D31.00003: The Importance of van der Waals Interactions in the Stability of the Phases of Mg(BH$_4$)$_2$
Brian Kolb, Andrzej Bil, Aleksey Kolmogorov, Timo Thonhauser
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Monday, March 21, 2011
3:30PM - 3:42PM
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D31.00004: Influence of van der Waals contact forces on the deformation mechanics of thin flexible membranes assembled from metallic or semiconducting single-wall carbon nanotubes
Erik K. Hobbie, John Harris, Swathi Iyer, Ji Yeon Huh, Jeffrey A. Fagan, Steven D. Hudson, Christopher M. Stafford
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Monday, March 21, 2011
3:42PM - 3:54PM
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D31.00005: Electrostatic Origin of Meandering C60 Chain Formation at ZnPc Interfaces
Janice Reutt-Robey, Qiang Liu, Levan Tskipuri, Wei Jin, John Weeks, Daniel Dougherty, Steve Robey
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Monday, March 21, 2011
3:54PM - 4:06PM
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D31.00006: How van der Waals interactions affect alanine-based polypeptides
M. Rossi, V. Blum, X. Ren, A. Tkatchenko, M. Scheffler
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Monday, March 21, 2011
4:06PM - 4:18PM
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D31.00007: Dispersion Forces and Self-assembly of Styrene Nanowires on H-Si(100) 2$\times$1 Surface
Guo Li, Valentino Cooper, Jun-hyung Cho, Shixuan Du, Hongjun Gao, Zhenyu Zhang
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Monday, March 21, 2011
4:18PM - 4:30PM
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D31.00008: Morphological Control in the Synthesis of Silver Nanostructures: Role of Polyvinylpyrrolidone
Kristen Fichthorn, Haijun Feng, Rajesh Sathiyanarayanan
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Monday, March 21, 2011
4:30PM - 4:42PM
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D31.00009: Structure and Formation of Synthetic Hemozoin: Insights from First Principles Calculations
Noa Marom, Alexandre Tkatchenko, Sergey Kapishnikov, Leeor Kronik, Leslie Leiserowitz
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Monday, March 21, 2011
4:42PM - 4:54PM
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D31.00010: Adsorption of methane on Zn(bdc)(ted)0.5 microporous metal-organic framework
Vaiva Krungleviciute, Sanhita Pramanik, Aldo Migone, Jing Li
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Monday, March 21, 2011
4:54PM - 5:06PM
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D31.00011: Understanding H$_{2}$-H$_{2}$ interactions in Metal Organic Frameworks (MOFs) with unsaturated metal centers
Nour Nijem, Jean F. Veyan, Lingzhu Kong, Yonggang Zhao, Jing Li, David Langreth, Yves J. Chabal
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Monday, March 21, 2011
5:06PM - 5:18PM
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D31.00012: First-Principles Calculations of the Role of Dispersive Interactions in CO$_2$ binding in metal-organic frameworks
Roberta Poloni, Joshua Howe, Jeffrey B. Neaton, Giulia Galli, Berend Smit
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