"On-the-fly" coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Issue 22 (14th June 2015)
- Record Type:
- Journal Article
- Title:
- "On-the-fly" coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Issue 22 (14th June 2015)
- Main Title:
- "On-the-fly" coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer
- Authors:
- Spura, Thomas
Elgabarty, Hossam
Kühne, Thomas D. - Abstract:
- <abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgjqwpf88t" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />"On-the-fly" coupled cluster-based path-integral molecular dynamics simulations predict that the effective potential of the protonated water–dimer has a single-well only.</p> </abstract>
- Is Part Of:
- Physical chemistry chemical physics. Volume 17:Issue 22(2015)
- Journal:
- Physical chemistry chemical physics
- Issue:
- Volume 17:Issue 22(2015)
- Issue Display:
- Volume 17, Issue 22 (2015)
- Year:
- 2015
- Volume:
- 17
- Issue:
- 22
- Issue Sort Value:
- 2015-0017-0022-0000
- Page Start:
- 14355
- Page End:
- 14359
- Publication Date:
- 2015-06-14
- 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/c4cp05192k ↗
- 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:
- 3778.xml