Intrinsic Reaction Coordinate (IRC) for TurboMole - IRC4TM
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F09%3A00340653" target="_blank" >RIV/86652036:_____/09:00340653 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Intrinsic Reaction Coordinate (IRC) for TurboMole - IRC4TM
Original language description
Standard IRC algorithm (stabilized linear as described in J. Chem. Phys., 66, 5, 2153) was implemented. The program extends the features of various packages of TurboMole suite of programs.
Czech name
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Czech description
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Classification
Type
R - Software
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Internal product ID
irc4tm
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.