Home » Biblio » Keyword » Contains the keyword FORCE-FIELD

Contains the keyword FORCE-FIELD

Ivanic J, Schmidt MW, Luke B. High-level theoretical study of the NO dimer and tetramer: Has the tetramer been observed? J Chem Phys. 2012;137:214316. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Nagata T, Brorsen K, Fedorov DG, Kitaura K, Gordon MS. Fully analytic energy gradient in the fragment molecular orbital method. J Chem PhysJ Chem Phys. 2011;134:124115 . Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Nagata T, Fedorov DG, Sawada T, Kitaura K, Gordon MS. A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolin. J Chem Phys. 2011;134:034110. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Lorenz CD, Faraudo J, Travesset A. Hydrogen bonding and binding of polybasic residues with negatively charged mixed lipid monolayers. Langmuir. 2008;24:1654-8. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Lorenz CD, Crozier PS, Anderson JA, Travesset A. Molecular dynamics of ionic transport and electrokinetic effects in realistic silica channels. J Phys Chem C. 2008;112:10222-32. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Faraudo J, Travesset A. Electrostatics of phosphatidic acid monolayers: Insights from computer simulations. Colloid Surf A-Physicochem Eng Asp. 2007;300:287-92. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar

RARE EARTH METALS
Current Market Prices
About Rare Earth Metals
Materials Preparation
STAFF/ASSOCIATES
Operations
Forms & Documents
Find People
VISITORS
How To Get Here
Tours of Ames Laboratory
Local Events Calendar
BE A PART OF AMES LAB
Job News
Human Resources
Ames Lab At A Glance
STUDENTS
K-12 Resources
Undergraduates
Graduates and Others
EDUCATORS
Science Bowl
SULI Program
VFP Program
FUNDING AGENCIES
DOE/Contractor
Research Highlights
Contract
INDUSTRY
Technology Transfer
Unique Capabilities
Accessing the Laboratory
RESEARCHERS
Scientific Programs
Our Science Explained
Specialized Resources
COMMUNITY
Economic Impact
Community Involvement
Community Resources
Security | Privacy | Disclaimers           Comments/Questions?           © 2010-2011 Ames Laboratory
The Ames Laboratory is operated for U.S. Department of Energy by Iowa State University