Session Index

Session D31: Focus Session: van der Waals Bonding in Advanced Materials: Applications to Advanced and Functional Materials

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Abstracts
Sponsoring Units: DMP
Chair: Per Hyldgaard, Chalmers University of Technology
Room: C145


Monday, March 21, 2011
2:30PM - 3:06PM

 D31.00001: Rotational and vibrational excitations of van der Waals bonded hydrogen in nanoporous materials: calibrating first-principle calculations with experiments
Invited Speaker: Lingzhu Kong

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Monday, March 21, 2011
3:06PM - 3:18PM

 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

 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

 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

 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

 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

 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

 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

 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

 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

 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

 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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