Matches in DBpedia 2014 for { <http://dbpedia.org/resource/ReaxFF> ?p ?o. }
Showing items 1 to 23 of
23
with 100 items per page.
- ReaxFF abstract "ReaxFF (for “reactive force field”) is a bond order based force field developed by Adri van Duin, William A. Goddard, III and co-workers at the California Institute of Technology for use e.g. in molecular dynamics simulations. Whereas traditional force fields are unable to model chemical reactions becauseof the requirement of breaking and forming bonds (a force field's functional form depends on having all bonds definedexplicitly), ReaxFF eschews explicit bonds in favor of bond orders, which allows for continuous bond formation/breaking. ReaxFF aims to be as general as possible and has been parameterized and testedfor hydrocarbon reactions, transition-metal-catalyzed nanotube formation, and high-energy materials.Recently, ReaxFF is developed to study oxygen interactions with realistic silica surfaces. This version of ReaxFF is based on highly accurate and benchmarking density functional studies. Highly accurate density functional results are achieved by employing Minnesota functionals.".
- ReaxFF wikiPageExternalLink adri.
- ReaxFF wikiPageID "7288953".
- ReaxFF wikiPageRevisionID "577690744".
- ReaxFF hasPhotoCollection ReaxFF.
- ReaxFF subject Category:Force_fields.
- ReaxFF type Field111456760.
- ReaxFF type ForceFields.
- ReaxFF type NaturalPhenomenon111408559.
- ReaxFF type Phenomenon100034213.
- ReaxFF type PhysicalEntity100001930.
- ReaxFF type PhysicalPhenomenon111419404.
- ReaxFF type Process100029677.
- ReaxFF comment "ReaxFF (for “reactive force field”) is a bond order based force field developed by Adri van Duin, William A. Goddard, III and co-workers at the California Institute of Technology for use e.g. in molecular dynamics simulations.".
- ReaxFF label "ReaxFF".
- ReaxFF label "ReaxFF".
- ReaxFF sameAs ReaxFF.
- ReaxFF sameAs m.025y9ks.
- ReaxFF sameAs Q7301568.
- ReaxFF sameAs Q7301568.
- ReaxFF sameAs ReaxFF.
- ReaxFF wasDerivedFrom ReaxFF?oldid=577690744.
- ReaxFF isPrimaryTopicOf ReaxFF.