Counterpoise corrected scaled MP3 (MP2.5) hybrid gradient geometry optimization

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F09%3A00340721" target="_blank" >RIV/86652036:_____/09:00340721 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Counterpoise corrected scaled MP3 (MP2.5) hybrid gradient geometry optimization

Original language description

The program performs counterpoise corrected hybrid gradient geometry optimization at the scaled MP3 (MP2.5) level of theory. Counterpoise corrected MP2 and MP3 gradients are mixed according to the scaling factor (default 0.5).

Czech name

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Czech description

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Type

R - Software

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Internal product ID

mp2.5_opt_bsse

Technical parameters

BASH skript, licence GPL 3

Economical parameters

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Owner IČO

86652036

Owner name

Biotechnologický ústav AV ČR, v. v. i.