×
Log in
Upload File
Most Popular
Art & Photos
Automotive
Business
Career
Design
Education
Hi-Tech
+ Browse for More
The top documents tagged [dft energy]
Technology
Recent developments for the quantum chemical investigation of molecular systems with high structural complexity
1.471 views
Documents
Molecular Modeling Using HPC and Gaussian: Density-Functional Theory and Noncovalent Interactions Gino A. DiLabio National Institute for Nanotechnology
230 views
Documents
1 Benchmark performance on Bassi Jonathan Carter User Services Group Lead
[email protected]
NERSC User Group Meeting June 12, 2006
216 views
Documents
Thermal Behavior – II Free Energy & Phase Diagrams [partly based on Chapter 7, Sholl & Steckel]
23 views
Documents
Molecular Modeling Using HPC and Gaussian: Density-Functional Theory and Noncovalent Interactions
56 views
Documents
Benchmark performance on Bassi Jonathan Carter User Services Group Lead jtcarter@lbl
22 views