Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3. Issue 17 (7th May 2015)
- Record Type:
- Journal Article
- Title:
- Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3. Issue 17 (7th May 2015)
- Main Title:
- Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3
- Authors:
- Erba, Alessandro
Maul, Jefferson
Demichelis, Raffaella
Dovesi, Roberto - Abstract:
- <abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgjn2c4n8k" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />Accurate <italic>ab initio</italic> calculations of thermodynamic and structural thermal properties of corundum demonstrate its quasi-harmonic nature up to the melting temperature.</p> </abstract>
- Is Part Of:
- Physical chemistry chemical physics. Volume 17:Issue 17(2015)
- Journal:
- Physical chemistry chemical physics
- Issue:
- Volume 17:Issue 17(2015)
- Issue Display:
- Volume 17, Issue 17 (2015)
- Year:
- 2015
- Volume:
- 17
- Issue:
- 17
- Issue Sort Value:
- 2015-0017-0017-0000
- Page Start:
- 11670
- Page End:
- 11677
- Publication Date:
- 2015-05-07
- Subjects:
- Chemistry, Physical and theoretical -- Periodicals
541.3 - Journal URLs:
- http://pubs.rsc.org/en/journals/journalissues/cp#!issueid=cp016040&type=current&issnprint=1463-9076 ↗
http://www.rsc.org/ ↗ - DOI:
- 10.1039/c5cp01537e ↗
- Languages:
- English
- ISSNs:
- 1463-9076
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 6475.306000
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 3421.xml