Efficient Modeling of NMR Parameters in Carbon Nanosystems
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F13%3A00421845" target="_blank" >RIV/61388963:_____/13:00421845 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/ct4002812" target="_blank" >http://dx.doi.org/10.1021/ct4002812</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/ct4002812" target="_blank" >10.1021/ct4002812</a>
Alternative languages
Result language
angličtina
Original language name
Efficient Modeling of NMR Parameters in Carbon Nanosystems
Original language description
Extensive DFT calculations using the B3LYP and VSXC density functionals and recently modified STO-3Gel and STO- 3Gmag basis sets supported their potential use in theoretical works leading to predicting structural and NMR properties of model SWCNT systems.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Theory and Computation
ISSN
1549-9618
e-ISSN
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Volume of the periodical
9
Issue of the periodical within the volume
9
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
4275-4286
UT code for WoS article
000330096800042
EID of the result in the Scopus database
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