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Q-Chem: an engine for innovation

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dc.contributor.authorKrylov, Anna
dc.contributor.authorGill, Peter
dc.date.accessioned2015-12-10T23:08:01Z
dc.date.issued2013
dc.date.updated2016-02-24T10:45:19Z
dc.description.abstractQ-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on regular laboratory workstations using density functional
dc.identifier.issn1759-0876
dc.identifier.urihttp://hdl.handle.net/1885/63114
dc.publisherJohn Wiley & Sons Inc
dc.sourceWiley Interdisciplinary Reviews - Computational Molecular Science
dc.subjectKeywords: Density functionals; Development platform; Electronically excited state; Fast calculations; Graphical interface; Innovative algorithms; Large system; Open-shell systems; Technology; Electronic structure
dc.titleQ-Chem: an engine for innovation
dc.typeJournal article
local.bibliographicCitation.issue3
local.bibliographicCitation.lastpage326
local.bibliographicCitation.startpage317
local.contributor.affiliationKrylov, Anna, University of Southern California
local.contributor.affiliationGill, Peter, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidGill, Peter, u1586534
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationU4217927xPUB771
local.identifier.citationvolume3
local.identifier.doi10.1002/wcms.1122
local.identifier.scopusID2-s2.0-84876463643
local.identifier.thomsonID000318045500006
local.type.statusPublished Version

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