Downloads

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| File Download |
| 2003 MICS Highlights |
| Nanochemistry - Documents |
| Madness - Publications |
| Publications - Other |

 

 

(Gzipped Tar file | Tar file) from the textbook Quantum Mechanics in Chemistry by Jack Simons and Jeff Nichols, Oxford University Press, 1997. Description and individual downloads

2003 MICS Highlights

These are WORD documents.
• Development of a new O(N) k-spaced based Electronic Structure Method
  Contacts: Andrei Smirnov, Bill Shelton
• Electronic and structural properties of novel carbon nanosystems
  Contact: Vincent Meunier
• Silicide/Oxide Heteroepitaxy and the Schottky Barrier for a Crystalline Dielectric on Silicon
  Contacts: Marco Nardelli, Bill Shelton, Malcolm Stocks
• Understanding Effects of Rare Earths (REs) in Si-based Oxynitride Glasses and Ceramics: Differential Binding Energy Model
  Contact: Bill Shelton

 

Nanochemistry - Documents

These are WORD documents.
• Amphoteric Doping of Carbon Nanotubes by Encapsulation of Organic Molecules: Electronic Transport and Quantum Conductance (500 kb)
• The Influence of Nano-Confinement and Hydrogen Bonding on the Transition State of Model Lignin Compounds (1.6 mb)
• Using Nanoconfinment to Tailor Semiconducting Polymers: New Generation Optoelectronics (2.7 mb)

 

 

Madness - Publications

These are PDF documents.
• Madness Introduction (500 kb)
• Recent Talk at ACS National Meeting (5 mb)
  
• Overview of SciDAC project (SC2002) (1 mb)
• SC2002 handout (1 mb)
• Multiresolution quantum chemistry (2 mb)

 

 

Other - Publications

These are mixed format documents. (P) denotes a PDF file, and (W) denotes a WORD file.
• "Advanced Methods for Electronic Structure" Talk (P)
  Contacts: Robert J. Harrison, and Jeff. A. Nichols
• "SCALES Chemistry v.13" (P)
  
• "The Influence of Nano-Confinement and Hydrogen Bonding on the Transition State of Model Lignin Compounds" (W)
• "Using Nanoconfinment to Tailor Semiconducting Polymers: New Generation Optoelectronics" (W)