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Computational chemistry / Basis set / Density functional theory / Gaussian function / Atomic orbital / Chemical bond / Pseudopotential / Matrix / Molecular dynamics / Chemistry / Quantum chemistry / Theoretical chemistry


University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch
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Document Date: 2010-11-29 09:01:30

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City

Zurich / /

Company

HN O2 HF / /

Country

Switzerland / /

Currency

pence / /

Facility

University of Zurich Zurich Open Repository / Hutter Physical Chemistry Institute / University of Zurich / /

IndustryTerm

large systems / linear scaling algorithms / atomization energy / phase systems / reference systems / gas phase systems / molecular systems / bonded systems / chemical environments / gas phase / energy / /

Organization

University of Zurich / /

ProvinceOrState

Colorado / /

PublishedMedium

The Journal of Chemical Physics / /

SportsEvent

the Zurich Open / /

Technology

linear scaling algorithms / /

URL

http /

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