This HTML5 document contains 24 embedded RDF statements represented using HTML+Microdata notation.

The embedded RDF content will be recognized by any processor of HTML5 Microdata.

Namespace Prefixes

PrefixIRI
dctermshttp://purl.org/dc/terms/
dbohttp://dbpedia.org/ontology/
foafhttp://xmlns.com/foaf/0.1/
n11https://global.dbpedia.org/id/
dbthttp://dbpedia.org/resource/Template:
rdfshttp://www.w3.org/2000/01/rdf-schema#
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
owlhttp://www.w3.org/2002/07/owl#
wikipedia-enhttp://en.wikipedia.org/wiki/
dbphttp://dbpedia.org/property/
dbchttp://dbpedia.org/resource/Category:
provhttp://www.w3.org/ns/prov#
xsdhhttp://www.w3.org/2001/XMLSchema#
wikidatahttp://www.wikidata.org/entity/
dbrhttp://dbpedia.org/resource/

Statements

Subject Item
dbr:David_Clary
dbo:wikiPageWikiLink
dbr:Semiclassical_transition_state_theory
Subject Item
dbr:Transition_state_theory
dbo:wikiPageWikiLink
dbr:Semiclassical_transition_state_theory
Subject Item
dbr:Semiclassical_transition_state_theory
rdfs:label
Semiclassical transition state theory
rdfs:comment
Semiclassical Transition State Theory (SCTST) is an efficient chemical rate theory, which aims to calculate accurate rate constants of chemical reactions, including nuclear quantum effects such as tunnelling, from ab initio quantum chemistry. The method makes use of the semiclassical WKB wavefunction, Bohr-sommerfeld theory and vibrational perturbation theory to derive an analytical relation for the probability of a particle transmitting through a potential barrier at some energy, E. It was first developed by Bill Miller and coworkers in the 1970's, and has been further developed to allow for application to larger systems and using more accurate potentials.
dcterms:subject
dbc:Chemical_reactions
dbo:wikiPageID
59419750
dbo:wikiPageRevisionID
1055677604
dbo:wikiPageWikiLink
dbr:Bohr-Sommerfeld_theory dbr:WKB_approximation dbc:Chemical_reactions dbr:William_Hughes_Miller dbr:Perturbation_theory_(quantum_mechanics) dbr:Reaction_rate_constant dbr:Quantum_tunnelling dbr:Quantum_chemistry
owl:sameAs
n11:9JrsA wikidata:Q60763658
dbp:wikiPageUsesTemplate
dbt:Short_description dbt:Reflist
dbo:abstract
Semiclassical Transition State Theory (SCTST) is an efficient chemical rate theory, which aims to calculate accurate rate constants of chemical reactions, including nuclear quantum effects such as tunnelling, from ab initio quantum chemistry. The method makes use of the semiclassical WKB wavefunction, Bohr-sommerfeld theory and vibrational perturbation theory to derive an analytical relation for the probability of a particle transmitting through a potential barrier at some energy, E. It was first developed by Bill Miller and coworkers in the 1970's, and has been further developed to allow for application to larger systems and using more accurate potentials.
prov:wasDerivedFrom
wikipedia-en:Semiclassical_transition_state_theory?oldid=1055677604&ns=0
dbo:wikiPageLength
3838
foaf:isPrimaryTopicOf
wikipedia-en:Semiclassical_transition_state_theory
Subject Item
wikipedia-en:Semiclassical_transition_state_theory
foaf:primaryTopic
dbr:Semiclassical_transition_state_theory