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Compelete basis set (CBS) MP2 numerical vibrational frequency calculation
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http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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Description
The program performs numerical vibrational frequency calculation based on MP2 gradients extrapolated to the approximate complete basis set limit.
The program performs numerical vibrational frequency calculation based on MP2 gradients extrapolated to the approximate complete basis set limit.
(en)
Title
Compelete basis set (CBS) MP2 numerical vibrational frequency calculation
Compelete basis set (CBS) MP2 numerical vibrational frequency calculation
(en)
skos:prefLabel
Compelete basis set (CBS) MP2 numerical vibrational frequency calculation
Compelete basis set (CBS) MP2 numerical vibrational frequency calculation
(en)
skos:notation
RIV/86652036:_____/12:00391150!RIV13-AV0-86652036
http://linked.open...avai/riv/aktivita
Z
http://linked.open...avai/riv/aktivity
Z(AV0Z50520701)
http://linked.open...vai/riv/dodaniDat
2013
http://linked.open...aciTvurceVysledku
Černý, Jiří
http://linked.open.../riv/druhVysledku
R - Software
http://linked.open...iv/duvernostUdaju
S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...onomickeParametry
nekomerční
http://linked.open...titaPredkladatele
Biotechnologický ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku
128118
http://linked.open...ai/riv/idVysledku
RIV/86652036:_____/12:00391150
http://linked.open...terniIdentifikace
numforce_mp2_cbs
http://linked.open...riv/jazykVysledku
eng - angličtina
http://linked.open.../riv/klicovaSlova
compelete basis set (CBS) hybrid gradient; MP2; numerical vibrational frequency calculation
(en)
http://linked.open.../riv/klicoveSlovo
MP2
compelete basis set (CBS) hybrid gradient
numerical vibrational frequency calculation
http://linked.open...ontrolniKodProRIV
[240FAE901071]
http://linked.open...in/vavai/riv/obor
CF
http://linked.open...ichTvurcuVysledku
1
(
xsd:int
)
http://linked.open...cetTvurcuVysledku
1
(
xsd:int
)
http://linked.open...UplatneniVysledku
2012
http://linked.open...echnickeParametry
BASH skript
http://linked.open...iv/tvurceVysledku
Černý, Jiří
http://linked.open...avai/riv/vlastnik
Biotechnologický ústav AV ČR, v. v. i.
http://linked.open...itiJinymSubjektem
N - Nabytí licence není nutné (výsledek není licencován)
http://linked.open...n/vavai/riv/zamer
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