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Molecular dynamics simulation of the free surface of liquid formamide
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1997 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 63, no 6, 1123-1131 p.Article in journal (Other scientific) Published
Abstract [en]

Molecular dynamics simulations of liquid formamide (HCONH2) were carried out using the GROMOS software. The formamide molecule is represented by all of its atoms with all internal degrees of freedom. In contrast to other simulations dealing with hulk prop

Place, publisher, year, edition, pages
JOHN WILEY & SONS INC , 1997. Vol. 63, no 6, 1123-1131 p.
Keyword [en]
MD simulations; liquid surface; formamide; molecular orientation; molecular surface density; DIFFRACTION
Identifiers
URN: urn:nbn:se:uu:diva-27583OAI: oai:DiVA.org:uu-27583DiVA: diva2:55478
Note
Addresses: UNIV UPPSALA, S-75121 UPPSALA, SWEDEN. UNIV WITTEN HERDECKE, INST EXPT PHYS, D-58448 WITTEN, GERMANY.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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