Nanotech 2007 Vol. 1
Nanotech 2007 Vol. 1
Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1

Nanoscale Modeling Chapter 6

Influence of His-195 on the nitrogenase FeMo-cofactor activity
C. Cavallotti, D. Moscatelli and S. Carrà
Politecnico di Milano, IT

Denaturation of hen egg white lysozyme in electromagnetic fields: a molecular dynamics study
N.J. English and D.A. Mooney
University College Dublin, IE

Investigation of dsDNA Molecule Mechanical Behavior using Atomistic Continuum Mechanics Method
C-N Han, C-Y Chou, C-J Wu and K-N Chiang
National Tsing Hua University, TW

Theoretical Studies on the Ozonization at the Capped-end of a Single-walled Carbon Nanotube: The Effect of the Finite Length
M. Sawangphruk, J. Sirijaraensre, P. Pantu and J. Limtrakul
Kasetsart University, TH

Structure and Electronic Properties of “DNA-Gold-Nanotube” Systems: A Quantum Chemical Analysis
P. Pannopard, J. Sirijaraensre, S. Nokbin, P. Khongpracha and J. Limtrakul
Kasetsart University, TH

Molecular Dynamic investigation of the interaction of supported affinity ligands with Monoclonal Antibodies
L. Zamolo, V. Busini, D. Moiani, D. Moscatelli and C. Cavallotti
Politecnico di Milano, IT

Adsorption of glycine and phenylalanine in H-ZSM-5 zeolite: an embedded QM/MM study
B. Boekfa, J. Sirijaraensre, P. Limtrakul, P. Pantu and J. Limtrakul
Kasetsart University, TH

Scanning Tunneling Microscopy Images of Au Adsorbed on GaAs(111)B surface
H. Yi, P. Kratzer, E. Hilner and A. Mikkelsen
KISTI, KR

New Pair Force Evaluation Method for Parallel Molecular Dynamics in Arbitrary Geometries
G.B. Macpherson and J.M. Reese
University of Strathclyde, UK

Electric Filed Modulation on the Geometric and Electronic Structures of Diblock Molecule
Y. Wi Li, G.P. Yin and J.W. Zhao
Harbin Institute of Technology, CN

Nonequilibrium molecular dynamics simulation for size effects on thermal conductivity of silicon nanostructures
X.J. Liu, Y.W. Yang and J.P. Yang
Nanyang Technological University, SG

Deformation of Carbon Nanotube Oscillators Encapsulating Cu Nanowires
J.H. Lee, J.W. Kang and H.J. Hwang
Sangmyung University, KR

Molecular Dynamics Simulations of Nonvolatile Carbon Nanotube Shuttle Memory
O.K. Kwon, J.H. Lee, J.W. Kang and H.J. Hwang
Semyung University, KR

The Innitial Reverse-Bias Injecting P+-N Junction Mode in P+-N-P+- Structures with Punch-Through
I. Mats
Diatex, Selected Texno-Fix, CA

Computational Screening of Metallofullerenes for Nanoscience
Z. Slanina and S. Nagase
Institute for Molecular Science, JP

Efficient DSMC Modeling Techniques for Micro/Nano Gas Flows
N. Masters and W. Ye
Georgia Institute of Technology, US

Investigation of Mechanical Strength of the Nanoshell of Bacteriophage Phi-29
C-N Han, C-Y Chou and K-N Chiang
National Tsing Hua University, Taiwan, TW

Quantum Design of Complex Nanostructured Electronic Materials
A.J. Williamson
Lawrence Livermore National Laboratory, US

Pseudopotential theory of electronic excitations in semiconductor nanostructures
A. Franceschetti and M.C. Troparevsky
National Renewable Energy Laboratory, US

Conduction Properties of BN-doped Fullerene Chain Obtained by Density Functional Calculations
N. Krainara, P. Luksirikul, J. Sirijaraensre, P. Pantu and J. Limtrakul
Kasetsart University, TH

Atomistic Simulation of Cracktip Failure Pathways in Fe and Fe Alloys
P.A. Gordon, T. Neeraj, Y. Li and M.J. Luton
ExxonMobil Research & Engineering, US

Dielectric Response in Silicon Nanostructures from first principles
S. Hamel, A. Williamson, H. Wilson, F. Gygi, G. Galli, E. Ratner and D. Wack
Lawrence Livermore National Laboratory, US

A Temperature-related Homogenization Technique for Nanoscale Continuum Approximation
S.P. Xiao and W.X. Yang
The University of Iowa, US

Mechanics of silicon nanowires: size-dependent elasticity from first principles
R.E. Rudd and B. Lee
Lawrence Livermore National Laboratory, US

Molecular Simulation and Theory for Nanosystems
R.J. Sadus
Swinburne University of Technology, AU

Interaction of DNA with Single-Walled Carbon Nanotubes: Implication to the Bio-Sensors
K-J Kong, H. Chang and J-O Lee
Korea Research Institute of Chemical Technology, KR

A Kinetic Study of the MOCVD of GaN
D. Moscatelli and C. Cavallotti
Politecnico di Milano, IT

A Multiscale investigation of the influence of surface morphology on thin films CVD deposition
A. Barbato, M. Rondanini and C. Cavallotti
Politecnico di Milano, IT

Bridging Domain Multiscale Method
S.P. Xiao and W.Y. Hou
The University of Iowa, US

Atomistic-Continuum Simulations of Carbon Nanotubes in LIquids
P. Koumoutsakos, E. Kotsalis, J.H. Walther and A. Dupuis
ETH Zürich, CH


ISBN: 1-4200-6182-8
Pages: 726
Hardcopy: $139.95