On the diverse bonding situations in nanostructures : an ab initio computational study (Record no. 73982)

MARC details
000 -LEADER
fixed length control field 01740naaaa2200301uu 4500
001 - CONTROL NUMBER
control field https://directory.doabooks.org/handle/20.500.12854/55212
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20220220074302.0
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number KSP/1000013975
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9783866444508
024 7# - OTHER STANDARD IDENTIFIER
Standard number or code 10.5445/KSP/1000013975
Terms of availability doi
041 0# - LANGUAGE CODE
Language code of text/sound track or separate title English
042 ## - AUTHENTICATION CODE
Authentication code dc
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Pankewitz, Tobias
Relationship auth
245 10 - TITLE STATEMENT
Title On the diverse bonding situations in nanostructures : an ab initio computational study
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Name of publisher, distributor, etc. KIT Scientific Publishing
Date of publication, distribution, etc. 2010
300 ## - PHYSICAL DESCRIPTION
Extent 1 electronic resource (VIII, 131 p. p.)
506 0# - RESTRICTIONS ON ACCESS NOTE
Terms governing access Open Access
Source of term star
Standardized terminology for access restriction Unrestricted online access
520 ## - SUMMARY, ETC.
Summary, etc. This computational study investigates diverse bonding situations in nanostructures (carbon nanotubes, fullerenes, metal compounds) spanning a broad range of energies. Weak, dispersive interactions and covalent metal-ligand and metal-metal bonding are examined. The results of efficient density functional calculations are compared to those of correlated wavefunction calculations on model systems. This rigorous validation is crucial in evaluating the balance between computational cost and accuracy.
540 ## - TERMS GOVERNING USE AND REPRODUCTION NOTE
Terms governing use and reproduction Creative Commons
Use and reproduction rights https://creativecommons.org/licenses/by-nc-nd/4.0/
Source of term cc
-- https://creativecommons.org/licenses/by-nc-nd/4.0/
546 ## - LANGUAGE NOTE
Language note English
653 ## - INDEX TERM--UNCONTROLLED
Uncontrolled term open-cage fullerenes
653 ## - INDEX TERM--UNCONTROLLED
Uncontrolled term single-walled carbon nanotubes
653 ## - INDEX TERM--UNCONTROLLED
Uncontrolled term subvalent aluminium and magnesium compounds
653 ## - INDEX TERM--UNCONTROLLED
Uncontrolled term computational chemistry
653 ## - INDEX TERM--UNCONTROLLED
Uncontrolled term nanostructures
856 40 - ELECTRONIC LOCATION AND ACCESS
Host name www.oapen.org
Uniform Resource Identifier <a href="https://www.ksp.kit.edu/9783866444508">https://www.ksp.kit.edu/9783866444508</a>
Access status 0
Public note DOAB: download the publication
856 40 - ELECTRONIC LOCATION AND ACCESS
Host name www.oapen.org
Uniform Resource Identifier <a href="https://directory.doabooks.org/handle/20.500.12854/55212">https://directory.doabooks.org/handle/20.500.12854/55212</a>
Access status 0
Public note DOAB: description of the publication

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